Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4200385 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL3913293 | 0.86 | ALDH1A1 (0.70) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL5667254 | 0.86 | ALDH1A1 (0.70) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL290176 | 0.84 | CHRM2 (0.70) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL13574070 | 0.84 | CHRM2 (0.70) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL13574067 | 0.84 | CHRM2 (0.70) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL3556429 | 0.77 | KEAP1 (0.72) | ALDH1A1CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL25135061 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL31078935 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CHRM2CHRM1KCNH2SLC6A3 | |
| SCHEMBL10817757 | 0.76 | TSHR (0.57) | ALDH1A1POLBCYP3A4CYP1A2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1595867-A1 | MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-16 | — | — | EP | disclosed |