Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1558091 | 0.94 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL6984472 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10 | |
| SCHEMBL2660455 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL2660453 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL29687394 | 0.81 | — | — | |
| SCHEMBL116463 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL1558188 | 0.79 | CCR1 (0.46) | ALDH1A1MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL6971769 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10 | |
| SCHEMBL13211474 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10 | |
| SCHEMBL6974344 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KMT2ACYP1A2CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |