Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6257617 | 0.85 | CYP19A1 (0.50) | CYP19A1MAOBMAOATHRATHRB | |
| Aniline SCHEMBL29187472 | 0.82 | MAOB (0.50) | MAOBMAOACA1CA2CA9 | |
| Aniline SCHEMBL29187471 | 0.82 | MAOB (0.50) | MAOBMAOACA1CA2CA9 | |
| SCHEMBL13879211 | 0.81 | PRSS1 (0.32) | — | |
| SCHEMBL9849186 | 0.81 | TAAR1 (0.55) | MAOBACHE | |
| SCHEMBL4076437 | 0.79 | APP (0.46) | MAOBMAOATHRBCA2CA9 | |
| SCHEMBL9849212 | 0.79 | CYP4F2 (0.36) | ALDH1A1MRGPRX4IDO1 | |
| SCHEMBL29149475 | 0.79 | IDO1 (0.55) | MAOBMAOAIDO1 | |
| SCHEMBL27370550 | 0.79 | IDO1 (0.55) | MAOBMAOATHRATHRBMRGPRX4 | |
| SCHEMBL698616 | 0.77 | TSHR (0.48) | MAOBMAOACA1CA2CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106084659-A | A kind of laboratory table top special fireproof shock resistance physics and chemistry sheet material | 安徽东冠器械设备有限公司 | 2016-11-09 | — | — | CN | claimed |
| CN-106084659-A | A kind of laboratory table top special fireproof shock resistance physics and chemistry sheet material | 安徽东冠器械设备有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-106084659-A | A kind of laboratory table top special fireproof shock resistance physics and chemistry sheet material | 安徽东冠器械设备有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-102448955-B | Aminopyrimidine Anticancer Compounds | OSI PHARM INC | 2014-06-18 | — | — | CN | disclosed |
| CN-102448955-A | Aminopyrimidine Anticancer Compounds | OSI PHARM INC | 2012-05-09 | — | — | CN | disclosed |