Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915410 | 0.96 | HRH4 (0.45) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6950781 | 0.93 | CYP3A4 (0.46) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8051025 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL504458 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL504466 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL504267 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL504220 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8054097 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8054318 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL504459 | 0.92 | CYP3A4 (0.47) | HRH4CYP3A4CYP2D6CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696140-A | FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1997-12-09 | — | — | US | disclosed |
| US-5563160-A | NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS | Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1996-10-08 | — | — | US | disclosed |
| EP-0660823-B1 | N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS | LEO PHARM PROD LTD (DK) | 1996-08-14 | — | — | EP | disclosed |
| EP-0660823-A1 | N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS. | LEO PHARM PROD LTD (DK) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006770-A1 | N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1994-03-31 | — | — | WO | disclosed |