Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 8/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304644 | 0.96 | DHODH (0.38) | DHODHHSP90AA1ESR2TDP1POLB | |
| SCHEMBL14342533 | 0.85 | ALDH1A1 (0.30) | POLBRAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL931684 | 0.79 | TSHR (0.39) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL8930899 | 0.72 | MCL1 (0.43) | HSP90AA1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL931576 | 0.69 | PDK2 (0.37) | HSP90AA1ESR2MEN1KMT2A | |
| SCHEMBL12832347 | 0.69 | MCL1 (0.37) | HSP90AA1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL12047056 | 0.67 | TUBB4A (0.33) | — | |
| SCHEMBL12832577 | 0.67 | GSK3B (0.31) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL13099831 | 0.66 | HSP90AA1 (0.35) | HSP90AA1RAB9ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL931360 | 0.66 | ALDH1A1 (0.41) | HSP90AA1TDP1POLBRAB9AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2035396-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2007139967-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2007-12-06 | — | — | WO | claimed |