Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7271496 | 0.82 | SMN1; SMN2 (0.41) | CYP1A2CYP2C19CYP2C9CYP2D6HPGD | |
| SCHEMBL9312880 | 0.76 | CYP1A2 (0.41) | CYP1A2KMT2ACASRSLC1A3SLC1A2 | |
| SCHEMBL7273150 | 0.74 | CTSK (0.41) | CYP1A2CYP2C19CYP2C9CYP2D6MMP8 | |
| SCHEMBL8871911 | 0.72 | TDP1 (0.54) | TDP1CYP1A2ACP3FFAR1AKR1B1 | |
| SCHEMBL8321986 | 0.69 | SLC6A2 (0.48) | TDP1CYP1A2CYP2C19CYP2C9KMT2A | |
| SCHEMBL7300495 | 0.69 | TRPA1 (0.41) | CYP2D6CASR | |
| SCHEMBL7907369 | 0.69 | CYP2C19 (0.50) | TDP1CYP1A2CYP2C19CYP2C9ACP3 | |
| SCHEMBL7271492 | 0.69 | SMN1; SMN2 (0.42) | CYP1A2CYP2C19CYP2C9AKR1B1CYP2D6 | |
| SCHEMBL673651 | 0.67 | TDP1 (0.47) | TDP1CYP1A2CYP2C19CYP2C9ACP3 | |
| SCHEMBL7317433 | 0.67 | TDP1 (0.61) | TDP1CYP1A2CYP2C19CYP2C9ACP3 |
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-5330978-A | Cardiovascular disorders, hypotensive agents, vasodilation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-07-19 | — | — | US | disclosed |