Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK3 | O43781 | 1/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.51 |
| ▸ | CDK9 | P50750 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.51 |
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31735806 | 0.82 | DYRK1A (0.53) | DYRK3CCNT1CDK9CDK5DYRK1A | |
| SCHEMBL7328239 | 0.79 | ENPP2 (0.49) | MAP3K11S1PR1S1PR3NPC1NISCH | |
| SCHEMBL29652423 | 0.79 | BRD4 (0.56) | DYRK3CCNT1CDK9CDK5DYRK1A | |
| SCHEMBL18828552 | 0.78 | NPC1 (0.59) | MAP3K11S1PR1S1PR3NPC1NISCH | |
| SCHEMBL7328650 | 0.77 | MAP3K11 (0.70) | DYRK3CCNT1CDK9CDK5DYRK1A | |
| SCHEMBL28600040 | 0.76 | PIM1 (0.50) | CCNT1CDK9PIM1PIM2CYP11B1 | |
| SCHEMBL29572491 | 0.76 | PIM1 (0.50) | CCNT1CDK9PIM1PIM2CYP11B1 | |
| SCHEMBL8870043 | 0.75 | RAB9A (0.46) | DYRK3CCNT1CDK9CDK5DYRK1A | |
| SCHEMBL29573268 | 0.73 | ALDH1A1 (0.53) | CCNT1CDK9DYRK1ANPC1PIM1 | |
| SCHEMBL5389116 | 0.72 | CYP17A1 (0.44) | DYRK3CCNT1CDK9CDK5DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5637593-A | MIGRAINE; HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-10 | — | — | US | disclosed |
| EP-0674619-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014770-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |