Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9190022 | 1.00 | DAO (0.40) | DAOTSHRHSD17B10TRPV4KDM1A | |
| SCHEMBL9398421 | 1.00 | DAO (0.40) | DAOTSHRHSD17B10TRPV4KDM1A | |
| SCHEMBL9188498 | 0.95 | DAO (0.40) | DAOTRPV4KDM1AKCNJ1KCNH2 | |
| SCHEMBL10345351 | 0.95 | DAO (0.40) | DAOTRPV4KDM1ACYP3A4CYP2C8 | |
| SCHEMBL9620711 | 0.95 | DAO (0.40) | DAOTRPV4KDM1ACYP3A4CYP2C8 | |
| SCHEMBL9188492 | 0.95 | DAO (0.40) | DAOTRPV4KDM1AKCNJ1KCNH2 | |
| SCHEMBL9398294 | 0.95 | DAO (0.40) | DAOTRPV4KDM1AKCNJ1KCNH2 | |
| SCHEMBL10345350 | 0.95 | DAO (0.40) | DAOTRPV4KDM1ACYP3A4CYP2C8 | |
| SCHEMBL9621160 | 0.94 | DAO (0.40) | DAOTSHRHSD17B10TRPV4KDM1A | |
| SCHEMBL9621129 | 0.94 | DAO (0.40) | DAOTSHRHSD17B10TRPV4KDM1A |
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-0410233-B1 | (4-Arylbutyl) cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 1995-11-15 | — | — | EP | disclosed |
| US-5346647-A | Cyclohexane compounds used in liquid crystalline mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0410233-A2 | (4-Arylbutyl) cyclohexane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | disclosed |