Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | OGG1 | O15527 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31561763 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL8849551 | 0.88 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL14128870 | 0.87 | SRC (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9259535 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL11053438 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL7602618 | 0.82 | SRC (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL29093880 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL8849562 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL11099164 | 0.78 | NPC1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL11556570 | 0.78 | ACHE (0.52) | HTTLMNAMAPK1NPSR1 |
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-0019401-B1 | PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN | Lilly Industries Limited (GB) | 1984-03-21 | — | — | EP | disclosed |
| US-4301280-A | Preparation of 3-substituted cephalosporins | LILLY INDUSTRIES LIMITED (GB) | 1981-11-17 | — | — | US | disclosed |
| EP-0019401-A1 | Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin | Lilly Industries Limited (GB) | 1980-11-26 | — | — | EP | disclosed |