Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16807683 | 0.81 | CYP1A2 (0.41) | ALDH1A1CYP1A2HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL16807656 | 0.79 | CYP2A6 (0.40) | CYP3A4ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL22741550 | 0.79 | ERAP1 (0.33) | CYP3A4ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL16807736 | 0.79 | CTSV (0.39) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL22741145 | 0.77 | ERAP1 (0.33) | CYP3A4ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL22742305 | 0.77 | ERAP1 (0.32) | ALDH1A1CYP1A2CYP2C9MAOBDYRK1A | |
| SCHEMBL16810127 | 0.75 | CYP1A2 (0.45) | ALDH1A1CYP1A2HPGDSMN1; SMN2TSHR | |
| SCHEMBL24358873 | 0.74 | ALDH1A1 (0.39) | CYP3A4ALDH1A1CYP1A2CYP2C9HPGD | |
| Ammonia Solution, Strong SCHEMBL4362344 | 0.74 | TDP1 (0.43) | CYP3A4ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL18595774 | 0.74 | MAOA (0.41) | CYP3A4ALDH1A1CYP1A2HPGDHSD17B10 |
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-9586972-B2 | Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material | FUJIFILM CORPORATION (JP) | 2017-03-07 | — | — | US | disclosed |