Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 19/20 | 0.59 |
| ▸ | HTR2A | P28223 | 15/20 | 0.59 |
| ▸ | HTR2B | P41595 | 9/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7086213 | 0.89 | HTR2C (0.59) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL8472115 | 0.82 | HTR2C (0.78) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL8525356 | 0.82 | HTR2C (0.48) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7081848 | 0.81 | HTR2C (0.54) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL7082041 | 0.80 | HTR2C (0.68) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL7083408 | 0.80 | NOTUM (0.57) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL7972018 | 0.80 | HTR2C (0.58) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL24525687 | 0.78 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL7078340 | 0.78 | HTR2C (0.60) | HTR2CHTR2AHTR2BCYP1A2MEN1 | |
| SCHEMBL7078072 | 0.78 | HTR2C (0.71) | HTR2CHTR2AHTR2BCYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | claimed |
| EP-1032570-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2000-09-06 | — | — | EP | claimed |
| WO-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | claimed |
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | disclosed |