Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.32 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 4/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RUVBL1 | Q9Y265 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | RBP4 | P02753 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344632 | 0.83 | ALDH1A1 (0.36) | ALDH1A1GAAAKR1C3RORBKIF11 | |
| SCHEMBL1148713 | 0.70 | POLB (0.43) | ALDH1A1GAAHSP90AA1XPO1 | |
| SCHEMBL679095 | 0.58 | ALDH1A1 (0.50) | ALDH1A1RXRARXRBRXRGTMPRSS4 | |
| SCHEMBL628410 | 0.58 | PARP1 (0.50) | GAARXRARXRBRXRGTMPRSS4 | |
| SCHEMBL31144953 | 0.58 | PARP1 (0.50) | GAARXRARXRBRXRGTMPRSS4 | |
| SCHEMBL5788396 | 0.58 | RXRA (0.45) | ALDH1A1RXRARXRBRXRGTMPRSS4 | |
| SCHEMBL29890062 | 0.58 | RXRA (0.45) | ALDH1A1RXRARXRBRXRGTMPRSS4 | |
| SCHEMBL28604363 | 0.57 | KMT2A (0.50) | ALDH1A1CYP3A4 | |
| SCHEMBL4762590 | 0.56 | RXRA (0.48) | ALDH1A1RXRARXRBRXRGTMPRSS4 | |
| SCHEMBL1147802 | 0.56 | ABL1 (0.41) | GAAHSP90AA1 |
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-2054059-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-05-06 | — | — | EP | claimed |
| WO-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | claimed |