Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.44 |
| ▸ | SUMO3 | P55854 | 1/20 | 0.43 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.43 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21814659 | 0.79 | APP (0.36) | PLAU | |
| SCHEMBL6024935 | 0.78 | APP (0.59) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL3396367 | 0.78 | PLAU (0.53) | MAOAMAOBPLAUADORA2AADORA1 | |
| SCHEMBL1310429 | 0.78 | MAOA (0.58) | MAOAMAOBADORA2AADORA1KDM4E | |
| SCHEMBL27609444 | 0.78 | MAOA (0.60) | MAOAMAOBADORA2AADORA2BADORA1 | |
| SCHEMBL15200781 | 0.77 | PDE10A (0.51) | MAOAMAOBADORA2AADORA2BKDM4E | |
| SCHEMBL3556495 | 0.76 | MAOA (0.56) | MAOAMAOBADORA2AADORA1KDM4E | |
| SCHEMBL8114510 | 0.75 | BCHE (0.56) | MAOAMAOBPLAUKDM4EHPGD | |
| SCHEMBL10874371 | 0.73 | KDM4C (0.59) | MAOAMAOBPLAUKDM4EHPGD | |
| SCHEMBL18207415 | 0.73 | PPARG (0.51) | MAOAMAOBPLAUKDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |