Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.48 |
| ▸ | HTR2B | P41595 | 3/20 | 0.48 |
| ▸ | PNMT | P11086 | 6/20 | 0.42 |
| ▸ | HTR2A | P28223 | 7/20 | 0.40 |
| ▸ | HTR7 | P34969 | 7/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | NMT1 | P30419 | 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 | |
|---|---|---|---|---|
| SCHEMBL1241177 | 0.77 | PNMT (0.53) | HTR2CHTR2BPNMTHTR2AADRA2A | |
| SCHEMBL2403756 | 0.77 | PNMT (0.53) | HTR2CHTR2BPNMTHTR2AADRA2A | |
| Hydrochloric Acid SCHEMBL2405913 | 0.76 | PNMT (0.52) | HTR2CHTR2BPNMTHTR2AADRA2A | |
| Hydrochloric Acid SCHEMBL1242900 | 0.76 | PNMT (0.52) | HTR2CHTR2BPNMTHTR2AADRA2A | |
| SCHEMBL5628447 | 0.72 | PNMT (0.52) | HTR2CHTR2BPNMTHTR2AADRA2A | |
| SCHEMBL1077845 | 0.67 | HTR2C (0.82) | HTR2CHTR2BPNMTADRA2AADRA2B | |
| SCHEMBL2400927 | 0.66 | HRH3 (0.46) | HTR7 | |
| SCHEMBL1241268 | 0.66 | HRH3 (0.46) | HTR7 | |
| Hydrochloric Acid SCHEMBL11738740 | 0.66 | HTR2C (0.80) | HTR2CHTR2BPNMTADRA2AADRA2B | |
| Water SCHEMBL16161850 | 0.66 | HRH3 (0.46) | HTR7 |
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-2542530-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011109675-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | disclosed |