Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethane SCHEMBL2153516 | 0.82 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3ALDH3A1VCAM1HSD17B10 | |
| SCHEMBL5177995 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3ALDH3A1VCAM1HSD17B10 | |
| SCHEMBL11328597 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TSHRTYRKDM4E | |
| SCHEMBL29417704 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ALDH1A3ALDH3A1VCAM1HSD17B10 | |
| SCHEMBL1984944 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRPTGS2TDP1 | |
| SCHEMBL472520 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ALDH1A3ALDH3A1VCAM1HSD17B10 | |
| SCHEMBL19543117 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3HSD17B10TSHRTYR | |
| SCHEMBL30972491 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ALDH1A3HSD17B10TSHRTYR | |
| SCHEMBL28229506 | 0.77 | ALDH1A1 (0.53) | ALDH1A1ALDH1A3ALDH3A1VCAM1HSD17B10 | |
| SCHEMBL321346 | 0.76 | ALDH1A3 (0.47) | ALDH1A1ALDH1A3ALDH3A1HSD17B10TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3130583-A1 | KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2017-02-15 | — | — | EP | disclosed |
| US-7259163-B2 | 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors | GLAXO GROUP LIMITED (GB) | 2007-08-21 | — | — | US | disclosed |
| US-7259183-B2 | Indole, indazole and indoline derivatives as CETP inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1440069-B1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LTD (GB) | 2007-08-15 | — | — | EP | disclosed |
| EP-1776338-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| US-20060030613-A1 | Indole, indazole and indoline derivatives as CETP inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | US | disclosed |
| WO-2006013048-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | WO | disclosed |
| US-6984740-B2 | Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | MILLIKEN & COMPANY (US) | 2006-01-10 | — | — | US | disclosed |
| US-20050043390-A1 | 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors | GLAXO GROUP LIMITED (GB) | 2005-02-24 | — | — | US | disclosed |
| EP-1425342-A4 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | MILLIKEN & CO (US) | 2005-01-05 | — | — | EP | disclosed |
| EP-1440069-A1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-07-28 | — | — | EP | disclosed |
| WO-2004060889-A1 | 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS | GLAXO GROUP LIMITED (GB) | 2004-07-22 | — | — | WO | disclosed |
| CN-1514851-A | Novel symmetrical substituted benzaldehyde alditol derivatives and compositions and articles containing same | 美利肯公司 | 2004-07-21 | — | — | CN | disclosed |
| EP-1425342-A2 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | Milliken & Company (US) | 2004-06-09 | — | — | EP | disclosed |
| US-20030127631-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | ANDERSON JOHN D (US) | 2003-07-10 | — | — | US | disclosed |
| WO-2003037895-A1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LIMITED (GB) | 2003-05-08 | — | — | WO | disclosed |
| US-6547988-B2 | Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials; also useful as gelling agents for water and organic solvents | MILLIKEN & COMPANY | 2003-04-15 | — | — | US | disclosed |
| US-20030008951-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | MILLIKEN & COMPANY | 2003-01-09 | — | — | US | disclosed |
| WO-2002077086-A2 | NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME | MILLIKEN & COMPANY (US) | 2002-10-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060030613-A1 | Indole, indazole and indoline derivatives as CETP inhibitors | CETP, NAT1, MTTP | ALDH1A1 2428/4885ALDH1A3 3876/4885ALDH3A1 3182/4885 |
| US-20030008951-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | ADH1C, ADH1A, ALDOA | ALDH1A1 69/4885ALDH1A3 55/4885ALDH3A1 9/4885 |
| US-20050043390-A1 | 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors | NR1H3, NR1H2, NR1I3 | ALDH1A1 215/4885ALDH1A3 702/4885ALDH3A1 53/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.