Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8389362 | 0.87 | HTR2A (0.41) | HRH3SLC6A4ACHEEHMT2EHMT1 | |
| SCHEMBL8393003 | 0.80 | NOS1 (0.40) | SLC6A4ACHEEHMT2EHMT1KDM4E | |
| SCHEMBL8658577 | 0.79 | SLC6A4 (0.38) | HRH3SLC6A4 | |
| SCHEMBL8619296 | 0.79 | SLC6A4 (0.38) | HRH3SLC6A4KDM4EALDH1A1GAA | |
| SCHEMBL8615260 | 0.74 | NOS3 (0.39) | HRH3KDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8615557 | 0.70 | PARP1 (0.44) | HRH3SLC6A4KCNH2ALDH1A1SMN1; SMN2 | |
| SCHEMBL7752192 | 0.69 | HTR7 (0.42) | HRH3ACHEEHMT2ALDH1A1HTR2A | |
| SCHEMBL7756643 | 0.68 | NR4A2 (0.43) | SLC6A4S1PR1S1PR3KDM4EALDH1A1 | |
| SCHEMBL7755387 | 0.67 | KDM4E (0.47) | SLC6A4KDM4EALDH1A1SMN1; SMN2HTR2A | |
| SCHEMBL8612335 | 0.67 | HTR7 (0.44) | HRH3KDM4EALDH1A1SMN1; SMN2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0777650-B1 | BIPHENYLAMIDE DERIVATIVES AS 5HT 1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2001-03-07 | — | — | EP | disclosed |
| US-5817833-A | Biphenylamide compounds as 5HT1D Antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-10-06 | — | — | US | disclosed |
| WO-1996006079-A1 | BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-02-29 | — | — | WO | disclosed |