Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698528 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL8010356 | 0.76 | BRD4 (0.50) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL444243 | 0.64 | PTGS2 (0.65) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL444244 | 0.64 | PTGS2 (0.65) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL12416900 | 0.64 | MAPT (0.57) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL24195093 | 0.64 | MEN1 (0.71) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4727410 | 0.61 | MAPT (0.65) | CYP3A4CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10478287 | 0.61 | MAPT (0.65) | CYP3A4CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL8970543 | 0.60 | KMT2A (0.42) | CYP2D6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8970537 | 0.60 | KMT2A (0.42) | CYP2D6ALDH1A1MAPTKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005044194-A2 | TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR | PHARMACIA CORPORATION (US) | 2005-05-19 | — | — | WO | claimed |
| 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-2005044194-A2 | TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR | PHARMACIA CORPORATION (US) | 2005-05-19 | — | — | WO | 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 |