Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.85 |
| ▸ | HPGD | P15428 | 3/20 | 0.85 |
| ▸ | TSHR | P16473 | 3/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.85 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9029 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL4941999 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL29413841 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Bromide SCHEMBL4288737 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Methane SCHEMBL1860130 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL15485047 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Water SCHEMBL3981103 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Benzene SCHEMBL22289542 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL7774409 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL7774413 | 0.90 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114479987-A | Amine compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-05-13 | — | — | CN | disclosed |