Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.33 |
| ▸ | EYA3 | Q99504 | 2/20 | 0.33 |
| ▸ | EYA2 | O00167 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17657299 | 0.80 | MAPT (0.36) | TTRCYP2C9ESR2CYP2C19CYP3A4 | |
| SCHEMBL17718329 | 0.78 | TTR (0.47) | TTRCYP2C9GABRA1GABRB2CYP2C19 | |
| SCHEMBL13717661 | 0.78 | TTR (0.39) | TTRCYP2C9GABRA1GABRB2CYP2C19 | |
| SCHEMBL17657317 | 0.71 | HTR2B (0.40) | ESR2PPARGHTR2B | |
| SCHEMBL16952751 | 0.68 | GABRA1 (0.61) | GABRA1GABRB2MEN1ALDH1A1LMNA | |
| SCHEMBL13718295 | 0.67 | CYP2C9 (0.38) | TTRCYP2C9GABRA1GABRB2 | |
| SCHEMBL4518061 | 0.66 | GABRA1 (0.39) | ESR2GABRA1GABRB2CYP3A4ALDH1A1 | |
| SCHEMBL2775764 | 0.64 | CYP2C19 (0.50) | TTRCYP2C9CYP2C19CYP3A4SLC22A12 | |
| SCHEMBL17657308 | 0.64 | MEN1 (0.34) | ESR2CYP3A4MEN1USP2ALDH1A1 | |
| SCHEMBL9078888 | 0.63 | CYP3A4 (0.67) | CYP2C9CYP2C19CYP3A4MEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016054491-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2016-04-07 | — | — | WO | disclosed |