Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 12/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790193 | 0.84 | SLC6A4 (0.55) | ALDH1A1MAPTGAAGRIN1GRIN2A | |
| SCHEMBL19091168 | 0.81 | ALDH1A1 (0.63) | ALDH1A1MAPTGAACHRM2GRIN1 | |
| SCHEMBL18901363 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPTGAABCHEKDM4E | |
| SCHEMBL17266361 | 0.79 | IDO1 (0.41) | ALDH1A1MAPTGAACHRM2CHRM1 | |
| SCHEMBL7672632 | 0.79 | IDO1 (0.41) | ALDH1A1MAPTGAACHRM2CHRM1 | |
| SCHEMBL17788600 | 0.79 | PDCD1LG2 (0.50) | ALDH1A1MAPTGAACHRM2GRIN1 | |
| SCHEMBL18901017 | 0.77 | PNMT (0.54) | ALDH1A1MAPTGAACHRM2CHRM1 | |
| SCHEMBL8340504 | 0.77 | KDM4E (0.45) | MAPTCHRM2CHRM1KDM4E | |
| SCHEMBL1415272 | 0.77 | IDO1 (0.42) | ALDH1A1MAPTGAACHRM2CHRM1 | |
| SCHEMBL736332 | 0.77 | MEN1 (0.54) | ALDH1A1GAABCHEACHEKDM4E |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |