Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 10/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 10/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 10/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.37 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL2657384 | 0.94 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2657419 | 0.92 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2654482 | 0.88 | GABRA1 (0.45) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2654462 | 0.87 | GABRA1 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2656705 | 0.87 | GABRA1 (0.52) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL342596 | 0.81 | GABRG2 (0.68) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL340367 | 0.79 | GABRG2 (0.72) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL340682 | 0.78 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL340897 | 0.77 | GABRG2 (0.56) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL341544 | 0.75 | GABRG2 (0.66) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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-1150983-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-11-07 | — | — | EP | claimed |
| WO-2000047582-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | claimed |