Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL9303867 | 0.80 | MAPT (0.46) | SLC6A4MAOBSGMS2MAPTMAPK1 | |
| Acetonitrile SCHEMBL9302780 | 0.67 | CYP3A4 (0.33) | MAPK1 | |
| Acetonitrile SCHEMBL27809938 | 0.67 | HTR1A (0.56) | HPGDMAOBSGMS2MAPTMAPK1 | |
| Acetonitrile SCHEMBL10710304 | 0.66 | MAOB (0.64) | MAOBMAPTL3MBTL1RAB9ASMN1; SMN2 | |
| Benzylphenylether SCHEMBL28061795 | 0.66 | MAOB (0.69) | MAOBMAPTL3MBTL1RAB9ASMN1; SMN2 | |
| SCHEMBL6215963 | 0.66 | MAOB (0.60) | SLC6A4MAOBMRGPRX4 | |
| SCHEMBL19679229 | 0.66 | CHRM2 (0.49) | SLC6A4MAPTMAPK1TDP1L3MBTL1 | |
| SCHEMBL8303606 | 0.65 | LTA4H (0.46) | SLC6A4HPGDMAPTMAPK1TDP1 | |
| SCHEMBL1684323 | 0.65 | MRGPRX4 (0.51) | HPGDMAOBEGFRERBB2SGMS2 | |
| SCHEMBL1465669 | 0.65 | MGAM (0.46) | HPGDMAOBSGMS2MAPK1NPC1 |
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-5310750-A | Heterocyclic compounds useful as α2 -adrenoceptor antagonists | BEECHAM GROUP P.L.C. (GB) | 1994-05-10 | — | — | US | disclosed |
| EP-0313288-B1 | IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALPHA 2-ADRENO-RECEPTOR ANTAGONISTS | BEECHAM GROUP PLC (GB) | 1992-12-30 | — | — | EP | disclosed |
| US-5021445-A | Hyperglycemic and hypertensive agents; anticoagulants, alpha2-adrenoceptor antagonists | BEECHAM GROUP P.L.C. (GB) | 1991-06-04 | — | — | US | disclosed |
| EP-0313288-A1 | Imidazole derivatives, process for their preparation and their use as alpha 2-adreno-receptor antagonists | BEECHAM GROUP PLC (GB) | 1989-04-26 | — | — | EP | disclosed |