Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ACP3 | P15309 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL363161 | 0.90 | TDP1 (0.64) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL30365968 | 0.89 | CYP1A2 (0.59) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL47 | 0.89 | CYP1A2 (0.59) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| Phosphine SCHEMBL28240107 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL29140496 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| Water SCHEMBL8463988 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28214959 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| Naphthalene SCHEMBL28758695 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| Iodide SCHEMBL27636636 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 | |
| Hydrogen Sulfide SCHEMBL28763519 | 0.87 | CYP1A2 (0.57) | TDP1ACP3CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107109040-B | Polytrimethylene terephthalate composition, polyester fiber and its manufacturing method | 帝人富瑞特株式会社 | 2019-06-28 | — | — | CN | disclosed |
| CN-106029733-B | Polyethylene-2, 6-naphthalate composition having excellent blow moldability and molded article thereof | 帝人株式会社 | 2018-09-07 | — | — | CN | disclosed |