Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | KIF11 | P52732 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076989 | 1.00 | ALDH1A1 (0.64) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL249404 | 0.85 | KMT2A (0.55) | ALDH1A1TSHRMEN1KMT2AESR1 | |
| SCHEMBL19124474 | 0.85 | TSHR (0.50) | ALDH1A1TSHRKIF11MEN1KMT2A | |
| SCHEMBL19130784 | 0.85 | TSHR (0.50) | ALDH1A1TSHRKIF11MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL11855911 | 0.83 | KMT2A (0.52) | ALDH1A1TSHRMEN1KMT2AESR1 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.83 | ALDH1A1 (0.82) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL24336466 | 0.82 | KCNN4 (0.52) | ALDH1A1TSHRKIF11MEN1KMT2A | |
| SCHEMBL25485518 | 0.82 | MEN1 (0.48) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL30915210 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11CYP19A1TRPV6 | |
| SCHEMBL12264154 | 0.81 | CYP19A1 (0.71) | ALDH1A1TSHRKIF11CYP19A1TRPV6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | UNIVERSITY COLLEGE DUBLIN (IE) | 2019-02-05 | — | — | US | disclosed |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | US | disclosed |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | US | disclosed |
| CN-105732249-A | Synthesis method of aryl alcohol compound and Escitalopram | 中国科学院上海有机化学研究所 | 2016-07-06 | — | — | CN | 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-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | ADH1C, ADH1A, ADH5 | ALDH1A1 6/4885TSHR 740/4885KIF11 1329/4885 |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | ADH1C, ADH1A, ADH5 | ALDH1A1 7/4885TSHR 614/4885KIF11 1071/4885 |
“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.