Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.38 |
| ▸ | HRH1 | P35367 | 8/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL725091 | 0.80 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL4433093 | 0.80 | — | — | |
| SCHEMBL4276824 | 0.79 | KCNH2 (0.40) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL7995788 | 0.78 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL11770504 | 0.76 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL4288094 | 0.75 | CYP1A2 (0.38) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL3340455 | 0.74 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL5359242 | 0.73 | ADRA2A (0.49) | ADRA2AADRA1A | |
| SCHEMBL25298623 | 0.72 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL3103040 | 0.72 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |