Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 2/20 | 0.44 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170224 | 0.83 | PIP4K2A (0.47) | PIP4K2APIP4K2CNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4734600 | 0.77 | TDP1 (0.65) | NPC1RAB9AGRM4SMN1; SMN2MEN1 | |
| SCHEMBL27935092 | 0.76 | CTSA (0.46) | NPC1RAB9ASMN1; SMN2CTSAMEN1 | |
| SCHEMBL28357121 | 0.75 | MAP4K4 (0.53) | NPC1RAB9ACTSAMEN1KMT2A | |
| SCHEMBL3327536 | 0.73 | DHODH (0.50) | NPC1RAB9ASMN1; SMN2CTSAMEN1 | |
| SCHEMBL6170030 | 0.72 | CYP2C9 (0.50) | PIP4K2APIP4K2C | |
| SCHEMBL857471 | 0.72 | CDC7 (0.64) | MAP4K4LRRK2TGFBR1 | |
| SCHEMBL31731007 | 0.72 | ACVR1 (0.40) | IDO1NPC1RAB9AGRM4SMN1; SMN2 | |
| SCHEMBL27945860 | 0.70 | DHODH (0.51) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15109935 | 0.69 | NISCH (0.44) | IDO1NPC1RAB9ASMN1; SMN2MEN1 |
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-1015431-B1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2005-04-20 | — | — | EP | disclosed |
| EP-1015431-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | Merck Frosst Canada & Co. (CA) | 2000-07-05 | — | — | EP | disclosed |
| US-6004950-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANALGESIC, ANTIPYRETICS; SIDE EFFECT REDUCTION | MERCK FROSST CANADA, INC. (CA) | 1999-12-21 | — | — | US | disclosed |
| WO-1999014195-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 1999-03-25 | — | — | WO | disclosed |