Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.44 |
| ▸ | HTRA1 | Q92743 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325542 | 0.88 | HDAC1 (0.44) | ALDH1A1NOS2HDAC3HDAC4HDAC1 | |
| SCHEMBL7425727 | 0.84 | TDP1 (0.65) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7425739 | 0.84 | TDP1 (0.65) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7326842 | 0.84 | MMP2 (0.44) | NOS2HTRA1NOS3NOS1EGFR | |
| SCHEMBL7316571 | 0.84 | MMP2 (0.44) | NOS2HTRA1NOS3NOS1EGFR | |
| Trifluoroacetic Acid SCHEMBL7326606 | 0.84 | HTRA1 (0.43) | NOS2HTRA1NOS3NOS1EED | |
| SCHEMBL7326943 | 0.84 | MMP2 (0.44) | NOS2HTRA1NOS3NOS1EGFR | |
| SCHEMBL7329506 | 0.83 | NOS2 (0.40) | NOS2HTRA1HDAC1EGFR | |
| SCHEMBL22994397 | 0.83 | NOS2 (0.56) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3161145 | 0.83 | NOS2 (0.56) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086069-A | Platelet anticoagulants for blood and cardiovascular disorder | RORER PHARMACEUTICAL CORPORATION (US) | 1992-02-04 | — | — | US | disclosed |