Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.63 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8468193 | 0.91 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1TP53GAATDO2 | |
| SCHEMBL8464922 | 0.83 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TP53GAAALDH1A1 | |
| SCHEMBL8466658 | 0.83 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TP53GAAALDH1A1 | |
| SCHEMBL8464925 | 0.82 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1TP53GAATDO2 | |
| SCHEMBL8465390 | 0.82 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1TDO2IDO1ALDH1A1 | |
| SCHEMBL13446104 | 0.82 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1GAATDO2ALDH1A1 | |
| SCHEMBL8467667 | 0.79 | TP53 (0.46) | HSP90AA1HSP90AB1TP53GAAALDH1A1 | |
| SCHEMBL8465211 | 0.79 | S100A4 (0.46) | HSP90AA1HSP90AB1TP53GAATDO2 | |
| SCHEMBL8465123 | 0.79 | S100A4 (0.46) | HSP90AA1HSP90AB1TP53GAATDO2 | |
| SCHEMBL1274825 | 0.78 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ALDH1A1 |
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 |