Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.47 |
| ▸ | TAS1R2 | Q8TE23 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7133200 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL3739876 | 0.72 | BRD4 (0.53) | ALDH1A1KDM4EKMT2ALMNAHPGD | |
| SCHEMBL19927338 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL2088329 | 0.69 | RAF1 (0.53) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL2088326 | 0.69 | RAF1 (0.53) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL2093882 | 0.69 | RAF1 (0.53) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL8667615 | 0.68 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1 | |
| SCHEMBL7495952 | 0.68 | RAF1 (0.52) | ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2013991 | 0.68 | KMT2A (0.62) | ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6353680 | 0.68 | KMT2A (0.71) | ALDH1A1KDM4EHSD17B10L3MBTL1TSHR |
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 3 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-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 |