Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.53 |
| ▸ | RAB9A | P51151 | 9/20 | 0.52 |
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18218828 | 0.83 | RAB9A (0.55) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL28588234 | 0.82 | RAB9A (0.50) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL30180494 | 0.82 | RAB9A (0.50) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL6100318 | 0.80 | RAB9A (0.65) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL26758610 | 0.78 | RAB9A (0.53) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL22581885 | 0.78 | DEGS1 (0.65) | SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1 | |
| SCHEMBL8321486 | 0.78 | RAB9A (0.62) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL7564852 | 0.77 | RAB9A (0.79) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL9673301 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2RAB9ANPC1HPGDMAPT | |
| SCHEMBL29791335 | 0.76 | L3MBTL1 (0.51) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 |
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 |