Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL187738 | 0.84 | CXCL8 (0.56) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL1888587 | 0.83 | CXCL8 (0.57) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL757161 | 0.82 | MAPT (0.57) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL28913568 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL7403376 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL9861864 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL28803059 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL4190284 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| SCHEMBL28803057 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRMAOACYP2C19 | |
| Hydrochloric Acid SCHEMBL28803242 | 0.77 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHRMAOACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4002682-A | CHEMICAL INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1977-01-11 | — | — | US | disclosed |
| US-3952044-A | INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1976-04-20 | — | — | US | disclosed |