Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 4/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10812471 | 0.89 | CYP3A4 (0.44) | HSP90AA1MEN1KMT2AGRM5DHODH | |
| SCHEMBL10811978 | 0.82 | HSP90AA1 (0.49) | HSP90AA1MEN1KMT2ARECQLMCL1 | |
| SCHEMBL15708830 | 0.78 | KMO (0.56) | MEN1KMT2AGRM5ALDH1A1MAPT | |
| SCHEMBL2636665 | 0.78 | MKNK1 (0.54) | MEN1KMT2AGRM5ALDH1A1MAPT | |
| SCHEMBL2198354 | 0.76 | KDM4E (0.60) | GRM5ALDH1A1MAPTKDM6BKDM4C | |
| SCHEMBL10814839 | 0.76 | MAPK1 (0.42) | HSP90AA1MEN1KMT2AGRM5CASP6 | |
| SCHEMBL10813935 | 0.75 | KCNH2 (0.50) | HSP90AA1MEN1KMT2ARECQLMCL1 | |
| SCHEMBL3409401 | 0.74 | KCNA5 (0.49) | GRM5CYP3A4ALDH1A1 | |
| SCHEMBL6732495 | 0.74 | ALDH1A1 (0.53) | RECQLGRM5CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL6730575 | 0.74 | NPC1 (0.54) | MEN1KMT2ARECQLGRM5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0114734-B1 | PYRIDINYLMETHYLAMINO-ARYLIC ACIDS | THE UPJOHN COMPANY (US) | 1987-05-13 | — | — | EP | claimed |
| EP-0114734-A2 | Pyridinylmethylamino-arylic acids | THE UPJOHN COMPANY (US) | 1984-08-01 | — | — | EP | claimed |
| EP-0114734-B1 | PYRIDINYLMETHYLAMINO-ARYLIC ACIDS | THE UPJOHN COMPANY (US) | 1987-05-13 | — | — | EP | disclosed |
| US-4486593-A | 2-,3-, or 4-Pyridinylmethylamino arylic acids as thromboxane A2 synthetase and 5-lipoxygenase inhibitors | THE UPJOHN COMPANY (US) | 1984-12-04 | — | — | US | disclosed |
| EP-0114734-A2 | Pyridinylmethylamino-arylic acids | THE UPJOHN COMPANY (US) | 1984-08-01 | — | — | EP | disclosed |