Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11312625 | 0.95 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL11788432 | 0.92 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL11796254 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9ALDH1A1MAOB | |
| SCHEMBL1487480 | 0.83 | MEN1 (0.48) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL10533050 | 0.83 | GAA (0.54) | CYP2D6CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL11803784 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDMAOBKMT2A | |
| SCHEMBL11803780 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDMAOBKMT2A | |
| SCHEMBL12416892 | 0.80 | SIRT2 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL1877158 | 0.76 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL1871729 | 0.76 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966631-A | Nematic liquid crystal composition | HITACHI, LTD. (JA) | 1976-06-29 | — | — | US | disclosed |
| US-3956169-A | DISPLAY DEVICE | HITACHI, LTD. (JA) | 1976-05-11 | — | — | US | disclosed |