Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19122774 | 0.83 | ADORA2A (0.40) | ADORA2ATRPV3CETPMBOAT4SYK | |
| SCHEMBL4538300 | 0.81 | MBOAT4 (0.47) | ADORA2ATRPV3CCR1MBOAT4POLB | |
| SCHEMBL30242161 | 0.81 | MBOAT4 (0.47) | ADORA2ATRPV3CCR1MBOAT4POLB | |
| SCHEMBL12881775 | 0.80 | KCNH2 (0.43) | ADORA2ATRPV3CETPMBOAT4SYK | |
| SCHEMBL2523502 | 0.80 | KMT2A (0.42) | SYKMAPTMEN1CYP1A2POLB | |
| SCHEMBL14076729 | 0.79 | ADORA2A (0.48) | ADORA2ATRPV3CETPMBOAT4SYK | |
| SCHEMBL21323661 | 0.79 | ADORA2A (0.38) | ADORA2ATRPV3CETPMBOAT4SYK | |
| SCHEMBL12867119 | 0.79 | TRPV3 (0.39) | ADORA2ATRPV3CETPMBOAT4SYK | |
| SCHEMBL19542 | 0.79 | KDM1A (0.44) | ADORA2ATRPV3CCR1POLB | |
| SCHEMBL20917696 | 0.76 | MCHR1 (0.41) | TRPV3GABRA1GABRG2GABRB3MCHR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986562-B1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME (GB) | 2002-08-07 | — | — | EP | disclosed |
| US-6310203-B1 | Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands | MERCK SHARPE & DOHME LIMITED (GB) | 2001-10-30 | — | — | US | disclosed |
| US-6200975-B1 | FOR COGNITION ENHANCEMENT THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |