Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465390 | 0.90 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1CYP11B1CYP11B2AKT1 | |
| SCHEMBL8468193 | 0.84 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8465101 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP11B1CYP11B2AKT1 | |
| SCHEMBL31237237 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP11B1CYP11B2AKT1 | |
| SCHEMBL8465416 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8465216 | 0.78 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1 | |
| SCHEMBL31237830 | 0.78 | AKT1 (0.48) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| Sulfuric Acid SCHEMBL8465210 | 0.78 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1AKT1AKT2NPC1 | |
| SCHEMBL8466610 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465385 | 0.76 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1 |
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 |