Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10365182 | 0.95 | ALDH1A1 (0.36) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10363816 | 0.93 | HRH4 (0.36) | CYP2C19CYP1A2HRH4HRH3ALDH1A1 | |
| SCHEMBL10365397 | 0.91 | CYP2C19 (0.36) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10363447 | 0.88 | CYP2C19 (0.39) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL25565749 | 0.87 | CYP2C19 (0.45) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10365432 | 0.86 | CYP2C19 (0.37) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10365223 | 0.86 | ALDH1A1 (0.36) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10365240 | 0.86 | ALDH1A1 (0.36) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10364493 | 0.85 | — | — | |
| SCHEMBL12319688 | 0.85 | CYP2C19 (0.48) | CYP2C19MEN1GLAKMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4918107-A | HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS | TSUMURA & CO. (JP) | 1990-04-17 | — | — | US | disclosed |