Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.42 |
| ▸ | USP2 | O75604 | 12/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 9/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3121963 | 0.84 | HSP90AB1 (0.57) | HSP90AA1HSP90AB1 | |
| SCHEMBL3122628 | 0.75 | HSP90AB1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL3111448 | 0.72 | HSP90AB1 (0.51) | HSP90AA1HSP90AB1 | |
| SCHEMBL3113633 | 0.70 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1 | |
| SCHEMBL3124105 | 0.70 | HSP90AA1 (0.43) | TSHRALDH1A1HSP90AA1HSP90AB1MEN1 | |
| SCHEMBL3124508 | 0.70 | HSP90AB1 (0.57) | HSP90AA1HSP90AB1 | |
| SCHEMBL5142341 | 0.67 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1 | |
| SCHEMBL27753505 | 0.67 | HSP90AA1 (0.48) | CYP1A2CYP3A4USP2CYP2C9CYP2C19 | |
| SCHEMBL3122285 | 0.67 | ADORA1 (0.39) | HSP90AB1MAPT | |
| SCHEMBL3127552 | 0.67 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101490052-A | Therapeutic compounds and their use in cancer | MYRIAD GENETICS INC (US) | 2009-07-22 | — | — | CN | disclosed |