Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL13592806 | 0.78 | ALOX15 (0.36) | CA1CA2 | |
| SCHEMBL5452576 | 0.74 | CA1 (0.42) | CA1CA2HIF1ACTSD | |
| SCHEMBL19113345 | 0.71 | — | — | |
| SCHEMBL6946168 | 0.63 | MMP1 (0.36) | CA1CA2HIF1A | |
| SCHEMBL656778 | 0.63 | ALOX15 (0.42) | CA1CA2HIF1A | |
| SCHEMBL13597503 | 0.61 | AKR1C3 (0.35) | — | |
| SCHEMBL13597510 | 0.61 | AKR1C3 (0.38) | — | |
| SCHEMBL992295 | 0.61 | LMNA (0.39) | HIF1A | |
| SCHEMBL29163507 | 0.61 | CTSD (0.43) | CA1CA2CTSD | |
| SCHEMBL8174142 | 0.60 | — | — |
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-1543009-A4 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1543009-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004013145-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-02-12 | — | — | WO | disclosed |