Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL599731 | 0.86 | ALDH1A1 (0.54) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL30371912 | 0.79 | CYP2C19 (0.61) | ALDH1A1CYP2C19 | |
| SCHEMBL28326874 | 0.79 | CYP2C9 (0.59) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL1863359 | 0.77 | CYP2C9 (0.49) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL6366676 | 0.77 | CYP2C9 (0.49) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL6366679 | 0.77 | CYP2C9 (0.49) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL598816 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL600003 | 0.77 | ACP3 (0.47) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL27347245 | 0.76 | ALDH1A1 (0.57) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD | |
| SCHEMBL6229309 | 0.76 | SLC6A4 (0.51) | ALDH1A1SLC6A4CYP2C19CYP2C9HPGD |
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-8115008-B2 | Method for producing optically active ester and method for producing optically active carboxylic acid | TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) | 2012-02-14 | — | — | US | disclosed |