Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9592234 | 0.88 | RAB9A (0.44) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9591046 | 0.88 | HRH3 (0.47) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9345336 | 0.88 | HRH3 (0.47) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9346081 | 0.88 | RAB9A (0.49) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9344744 | 0.87 | RAB9A (0.46) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9344915 | 0.87 | KDM4E (0.44) | HRH3KDM4ERECQLTDP1 | |
| SCHEMBL9344365 | 0.87 | RAB9A (0.48) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9349112 | 0.86 | RAB9A (0.48) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9349405 | 0.86 | RAB9A (0.47) | HRH3KCNH2RAB9ACYP2C9CYP3A4 | |
| SCHEMBL9346032 | 0.86 | RAB9A (0.47) | HRH3KCNH2RAB9ACYP2C9CYP3A4 |
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-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |