Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 19/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 17/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8931048 | 0.90 | ESR1 (0.55) | ESR1KDRESR2KDM4EALDH1A1 | |
| SCHEMBL699174 | 0.74 | ESR1 (0.76) | ESR1ESR2HRH3KDM4E | |
| SCHEMBL1359959 | 0.74 | ESR1 (0.76) | ESR1ESR2HRH3KDM4E | |
| SCHEMBL2475993 | 0.73 | ESR1 (0.75) | ESR1ESR2HRH3KDM4E | |
| SCHEMBL4939682 | 0.72 | ESR1 (0.48) | ESR1ESR2KDM4EALDH1A1MAPT | |
| SCHEMBL8931049 | 0.72 | HSP90AA1 (0.58) | ESR1KDRESR2KDM4EALDH1A1 | |
| SCHEMBL4938798 | 0.71 | MAOA (0.39) | ESR1KDM4EALDH1A1MAPTTSHR | |
| SCHEMBL8411173 | 0.71 | HRH3 (0.66) | ESR1KDRESR2HRH3 | |
| SCHEMBL4941283 | 0.70 | HSP90AA1 (0.41) | ESR1ESR2KDM4EALDH1A1MAPT | |
| SCHEMBL13649149 | 0.70 | ESR1 (0.70) | ESR1ESR2HRH3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | disclosed |