Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8464752 | 0.90 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8464947 | 0.82 | KDM4E (0.48) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8465216 | 0.75 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465600 | 0.72 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8468193 | 0.72 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8464828 | 0.70 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL31237216 | 0.70 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465273 | 0.67 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL23917098 | 0.66 | PTPN1 (0.53) | ALDH1A1MAPTSMN1; SMN2GLAGAA | |
| SCHEMBL11446978 | 0.65 | AKT1 (0.47) | AKT1AKT2NPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5981544-A | Mono-- or diketone tetracyclic derivatives and therapeutical uses thereof | LABORATOIRE INNOTHERA (FR) | 1999-11-09 | — | — | US | claimed |
| US-5981544-A | Mono-- or diketone tetracyclic derivatives and therapeutical uses thereof | LABORATOIRE INNOTHERA (FR) | 1999-11-09 | — | — | US | disclosed |