Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 9/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23201237 | 0.80 | GRM5 (0.41) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7057484 | 0.76 | CHRNB2 (0.58) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5347545 | 0.75 | RAB9A (0.64) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5348279 | 0.74 | RAB9A (0.46) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4773984 | 0.74 | NLRP3 (0.66) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10084279 | 0.73 | CHRNB2 (0.54) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8303839 | 0.72 | L3MBTL1 (0.47) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9617427 | 0.72 | CHRNB2 (0.39) | NPC1ALDH1A1CYP1A2CYP2C19NFKB1 | |
| SCHEMBL6100315 | 0.72 | L3MBTL1 (0.47) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7110984 | 0.71 | NLRP3 (0.42) | L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835109-A4 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO INC (US) | 1999-02-03 | — | — | EP | disclosed |
| EP-0835109-A1 | PYRIDINONE-THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001338-A1 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |