Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020936 | 1.00 | SLC6A4 (0.48) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL6524970 | 0.91 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL8536712 | 0.88 | CYP1A2 (0.36) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL8536711 | 0.88 | CYP1A2 (0.36) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL9180980 | 0.86 | SLC6A3 (0.40) | SLC6A4SLC6A3SLC6A2CYP1A2KCNH2 | |
| SCHEMBL7760357 | 0.86 | SLC6A3 (0.53) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL10778007 | 0.86 | SLC6A4 (0.46) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL6524968 | 0.84 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL8921684 | 0.82 | SLC6A3 (0.50) | SLC6A4SLC6A3SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL10652906 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C8 |
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 |