Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MDM4 | O15151 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24249007 | 0.80 | KDM4E (0.44) | GABRA1GABRB2KDM4ETRPA1PTGS1 | |
| SCHEMBL16248205 | 0.80 | GABRA1 (0.42) | GABRA1GABRB2MAPTTDP1KDM4E | |
| SCHEMBL19788317 | 0.80 | CYP3A4 (0.34) | ESR1ESR2MAPTALDH1A1CYP3A4 | |
| SCHEMBL16248202 | 0.78 | GABRA1 (0.39) | GABRA1GABRB2MAPTTP53HPGD | |
| SCHEMBL24595051 | 0.78 | GABRA1 (0.39) | GABRA1GABRB2 | |
| SCHEMBL11922548 | 0.78 | RPS6KA3 (0.33) | ESR1ESR2 | |
| SCHEMBL16248201 | 0.78 | GABRA1 (0.39) | GABRA1GABRB2MAPTTDP1KDM4E | |
| SCHEMBL31164556 | 0.75 | ALOX15 (0.33) | ESR1MAPTTDP1KDM4EALDH1A1 | |
| SCHEMBL25189167 | 0.75 | ALOX15 (0.33) | ESR1MAPTTDP1KDM4EALDH1A1 | |
| SCHEMBL25523782 | 0.75 | CA1 (0.31) | CA1CA2 |
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 |