Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465600 | 0.83 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1ALDH1A1MAPTRAB9A | |
| SCHEMBL8465085 | 0.81 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465304 | 0.81 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465216 | 0.80 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465101 | 0.78 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1KDM4EALDH1A1MAPT | |
| SCHEMBL31237237 | 0.78 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1KDM4EALDH1A1MAPT | |
| Sulfuric Acid SCHEMBL8465210 | 0.74 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1KDM4EALDH1A1MAPT | |
| SCHEMBL13325930 | 0.73 | AKT2 (0.69) | KDM4EALDH1A1MAPTGAACGAS | |
| SCHEMBL8464947 | 0.72 | KDM4E (0.48) | HSP90AA1HSP90AB1KDM4EALDH1A1MAPT | |
| SCHEMBL8464965 | 0.72 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1ALDH1A1RAB9ANPC1 |
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 |