Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537642 | 0.81 | ALDH1A1 (0.58) | CYP2D6CYP19A1ALDH1A1KDM4EADRB2 | |
| SCHEMBL16757326 | 0.79 | CYP2D6 (0.66) | CYP2D6CYP19A1ALDH1A1KDM4ENPSR1 | |
| SCHEMBL949225 | 0.79 | CYP1A2 (0.63) | CYP2D6ALDH1A1KDM4ENPSR1MEN1 | |
| SCHEMBL28751840 | 0.77 | TP53 (0.50) | CYP2D6ALDH1A1KDM4EKMT2ACYP3A4 | |
| SCHEMBL945419 | 0.77 | CYP2D6 (0.61) | CYP2D6ALDH1A1KDM4ENPSR1MEN1 | |
| SCHEMBL22206739 | 0.76 | CHRM2 (0.57) | CYP2D6CYP19A1ALDH1A1KDM4EADRB2 | |
| SCHEMBL22206767 | 0.76 | CHRM2 (0.57) | CYP2D6CYP19A1ALDH1A1KDM4EADRB2 | |
| SCHEMBL17240226 | 0.76 | ALDH1A1 (0.42) | CYP2D6ALDH1A1KDM4EMAPK1CYP3A4 | |
| SCHEMBL16179076 | 0.76 | P4HB (0.46) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 | |
| SCHEMBL6824843 | 0.73 | CYP2D6 (0.71) | CYP2D6CYP19A1ALDH1A1KDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0539372-A1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| WO-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |