Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.59 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698644 | 1.00 | CYP19A1 (0.59) | CYP19A1CYP11B2AKR1C1CYP1A2CYP3A4 | |
| SCHEMBL31406720 | 0.91 | CYP19A1 (0.46) | CYP19A1CYP11B2AKR1C1CYP1A2CYP3A4 | |
| SCHEMBL3863248 | 0.87 | AKR1C1 (0.67) | AKR1C1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11219398 | 0.87 | AKR1C1 (0.73) | AKR1C1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11219395 | 0.87 | AKR1C1 (0.73) | AKR1C1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3863246 | 0.87 | AKR1C1 (0.67) | AKR1C1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5698669 | 0.84 | KMT2A (0.55) | AKR1C1KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL5698662 | 0.84 | KMT2A (0.55) | AKR1C1KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL7176261 | 0.84 | CYP19A1 (0.58) | CYP19A1CYP11B2AKR1C1CYP1A2CYP3A4 | |
| SCHEMBL6076208 | 0.84 | CYP19A1 (0.58) | CYP19A1CYP11B2AKR1C1CYP1A2CYP3A4 |
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-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |