Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 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 | |
|---|---|---|---|---|
| SCHEMBL27958720 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TYRALDH1A3ALDH3A1VCAM1 | |
| SCHEMBL6015153 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TYRALDH1A3ALDH3A1VCAM1 | |
| Ethane SCHEMBL2154115 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TYRALDH1A3ALDH3A1VCAM1 | |
| SCHEMBL9231758 | 0.81 | TYR (0.52) | ALDH1A1TYRALDH1A3HSD17B10TSHR | |
| SCHEMBL16957329 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TYRTSHRLMNATP53 | |
| SCHEMBL16955280 | 0.80 | LMNA (0.38) | ALDH1A1TYRTSHRLMNATP53 | |
| SCHEMBL8031911 | 0.78 | TYR (0.48) | ALDH1A1TYRALDH1A3HSD17B10TSHR | |
| SCHEMBL29818656 | 0.78 | TYR (0.48) | ALDH1A1TYRALDH1A3TSHRKDM4E | |
| SCHEMBL3117644 | 0.78 | TYR (0.48) | ALDH1A1TYRALDH1A3TSHRKDM4E | |
| SCHEMBL21749312 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TYRALDH1A3ALDH3A1VCAM1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |
| US-6984740-B2 | Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | MILLIKEN & COMPANY (US) | 2006-01-10 | — | — | 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-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 |
| 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 (2 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-20030008951-A1 | Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same | ADH1C, ADH1A, ALDOA | ALDH1A1 69/4885TYR 1955/4885ALDH1A3 55/4885 |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | MC2R, REN, CYP11B2 | ALDH1A1 831/4885TYR 1759/4885ALDH1A3 1347/4885 |
“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.