Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536712 | 1.00 | CYP1A2 (0.36) | CYP1A2SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL8020936 | 0.88 | SLC6A4 (0.48) | CYP1A2SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL8536568 | 0.88 | SLC6A4 (0.48) | CYP1A2SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL9180980 | 0.83 | SLC6A3 (0.40) | CYP1A2SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL10336534 | 0.80 | CYP1A2 (0.36) | CYP1A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL9574554 | 0.79 | OPRL1 (0.33) | SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL9574561 | 0.79 | OPRL1 (0.33) | SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL6524970 | 0.78 | SLC6A4 (0.51) | CYP1A2SLC6A2SLC6A4SLC6A3OPRL1 | |
| SCHEMBL10652906 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8076356 | 0.77 | CCR2 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5762826-A | Liquid crystal composition and a liquid crystal display element which contains it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-06-09 | — | — | US | disclosed |