Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CUL4A | Q13619 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.31 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 2/20 | 0.30 |
| ▸ | DDO | Q99489 | 2/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644562 | 0.81 | KDM1A (0.38) | CA1CA2HTR2CHTR2BNMUR2 | |
| SCHEMBL15620708 | 0.62 | MAPT (0.58) | CUL4ACA1CA2CA7CA9 | |
| SCHEMBL3744088 | 0.59 | CA1 (0.42) | CA1CA2CA7CA9CES2 | |
| SCHEMBL20110650 | 0.59 | CA1 (0.38) | CUL4ACA1CA2CA7CA9 | |
| SCHEMBL7505126 | 0.59 | — | — | |
| SCHEMBL16212320 | 0.58 | ABCB1 (0.39) | CA1CA2CA7CA9CES2 | |
| SCHEMBL13224429 | 0.57 | TSHR (0.35) | CA1CA2CES2CES1HTR2C | |
| Urea SCHEMBL27494998 | 0.57 | CES2 (0.55) | CES2CES1 | |
| SCHEMBL8746386 | 0.57 | CES2 (0.40) | CES2CES1ALBERN1TTR | |
| SCHEMBL425268 | 0.56 | LDHA (0.43) | CA1CA2CA7CA9CES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6476030-B1 | Pyrazolo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2002-11-05 | — | — | US | disclosed |
| EP-1121361-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | Merck Sharp & Dohme Limited (GB) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023449-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |