Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968234 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL8168112 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL11103188 | 0.79 | ACP3 (0.44) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL14450166 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL11605110 | 0.77 | HPGD (0.44) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL31467547 | 0.77 | PGK1 (0.53) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL916920 | 0.77 | PGK1 (0.53) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL1069498 | 0.77 | ACP3 (0.47) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL28633152 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRACP3CHRM5PARP1 | |
| SCHEMBL9098018 | 0.76 | ACP3 (0.46) | ALDH1A1TSHRACP3HTTMEN1 |
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 |