Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 2/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449685 | 0.89 | FAAH (0.66) | ALDH1A1LMNAHTTPTGS2PTGS1 | |
| SCHEMBL30071822 | 0.89 | FAAH (0.52) | ALDH1A1LMNAHTTPTGS2PTGS1 | |
| SCHEMBL26342419 | 0.88 | SMN1; SMN2 (0.62) | ALDH1A1LMNAHTTMALT1FAAH | |
| SCHEMBL6454672 | 0.83 | ALDH1A1 (0.61) | ALDH1A1LMNAHTTPTGS2PTGS1 | |
| SCHEMBL31324294 | 0.81 | MAPT (0.74) | ALDH1A1LMNAHTTPTGS2PTGS1 | |
| SCHEMBL28109710 | 0.79 | PTGS2 (0.60) | ALDH1A1LMNAPTGS2PTGS1MALT1 | |
| SCHEMBL2730507 | 0.78 | PHGDH (0.58) | ALDH1A1LMNAHTTFAAHPLA2G2A | |
| SCHEMBL11073103 | 0.78 | CYP1A2 (0.53) | ALDH1A1LMNAFAAHCYP1A2CYP3A4 | |
| SCHEMBL7056604 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNAHTTMALT1RECQL | |
| SCHEMBL4012708 | 0.78 | FAAH (0.60) | ALDH1A1LMNAHTTFAAHPOLB |
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 |