Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1629563 | 0.73 | AKR1C3 (0.50) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL8742560 | 0.69 | AKR1C3 (0.54) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL7454012 | 0.69 | AKR1C3 (0.60) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL243721 | 0.69 | AKR1C3 (0.60) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL141612 | 0.69 | AKR1C3 (0.60) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL7179224 | 0.69 | AKR1C1 (0.52) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL29253620 | 0.68 | ALDH1A1 (0.50) | AKR1C3AKR1C1RECQLALDH1A1MAPT | |
| SCHEMBL1629856 | 0.68 | AKR1C3 (0.64) | AKR1C3AKR1C1RECQLALDH1A1HTT | |
| SCHEMBL14802102 | 0.68 | ALDH1A1 (0.41) | AKR1C3AKR1C1ALDH1A1MAPTKDM4E | |
| Methane SCHEMBL1221501 | 0.68 | AKR1C3 (0.58) | AKR1C3AKR1C1RECQLALDH1A1HTT |
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 |