Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | DDO | Q99489 | 2/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21877855 | 0.78 | CA12 (0.53) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL17673224 | 0.77 | CA12 (0.52) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL28251365 | 0.75 | DAO (0.53) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL597517 | 0.75 | CA12 (0.50) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL28002630 | 0.75 | HRH4 (0.41) | CA12CA9HRH4DAODDO | |
| SCHEMBL27096591 | 0.75 | CA12 (0.46) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL30774097 | 0.75 | CA12 (0.46) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL24630261 | 0.71 | CA12 (0.46) | CA12CA9NOS1HRH4DAO | |
| SCHEMBL16835575 | 0.71 | DHODH (0.55) | CA12CA9NOS1HRH4KDM4E | |
| SCHEMBL5675106 | 0.71 | CA12 (0.46) | CA12CA9NOS1HRH4DAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002004440-A9 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-11-03 | — | — | WO | disclosed |
| EP-1299382-A4 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-1299382-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002004440-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-01-17 | — | — | WO | disclosed |