Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.78 |
| ▸ | RAB9A | P51151 | 1/20 | 0.78 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.63 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.55 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | RPA1 | P27694 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10645870 | 0.88 | NPC1 (1.00) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL10194259 | 0.87 | NPC1 (0.83) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL12361461 | 0.85 | NPC1 (0.93) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL17592920 | 0.84 | PTGS2 (0.62) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL6266602 | 0.84 | PTGS2 (0.62) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL11382119 | 0.84 | NPC1 (0.78) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL12759783 | 0.84 | NPC1 (0.78) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL27907544 | 0.81 | SLC16A3 (0.59) | NPC1RAB9APTGS2MALT1SMN1; SMN2 | |
| SCHEMBL11377231 | 0.81 | NPC1 (0.73) | NPC1RAB9AALOX5ALDH1A1HPGD | |
| SCHEMBL27890742 | 0.81 | MALT1 (0.56) | NPC1RAB9AALDH1A1PTGS2MALT1 |
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 |