Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465034 | 0.87 | GAA (0.42) | TP53GAAHSP90AA1HSP90AB1TRPA1 | |
| SCHEMBL8468193 | 0.85 | HSP90AA1 (0.51) | TP53GAAHSP90AA1HSP90AB1PARP1 | |
| SCHEMBL8464968 | 0.83 | S100A4 (0.43) | TP53GAAHSP90AA1HSP90AB1CYP1A2 | |
| SCHEMBL8464828 | 0.83 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL8465088 | 0.80 | GAA (0.42) | TP53GAAHSP90AA1HSP90AB1TRPA1 | |
| SCHEMBL8465227 | 0.79 | HSP90AA1 (0.63) | TP53GAAHSP90AA1HSP90AB1PARP1 | |
| SCHEMBL8464922 | 0.77 | HSP90AA1 (0.44) | TP53GAAHSP90AA1HSP90AB1TRPA1 | |
| SCHEMBL8466658 | 0.77 | HSP90AA1 (0.44) | TP53GAAHSP90AA1HSP90AB1TRPA1 | |
| SCHEMBL8139750 | 0.74 | GAA (0.43) | TP53GAAPKMCYP1A2CYP2C9 | |
| SCHEMBL8465211 | 0.73 | S100A4 (0.46) | TP53GAAHSP90AA1HSP90AB1ALDH1A1 |
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 |