Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | PHGDH | O43175 | 3/20 | 0.47 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benmoxin SCHEMBL54431 | 0.90 | GPR139 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| Benmoxin SCHEMBL8759658 | 0.90 | GPR139 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| Benmoxin SCHEMBL8760295 | 0.90 | GPR139 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL8759636 | 0.86 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL8759672 | 0.86 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL8760263 | 0.83 | PTGS2 (0.60) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL8760655 | 0.83 | PTGS2 (0.60) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL8760259 | 0.83 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL2645369 | 0.82 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL2642857 | 0.82 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| CN-101291912-A | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO INC (US) | 2008-10-22 | — | — | CN | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |