Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL256044 | 0.86 | AHR (0.48) | AHRTYMPALDH1A1 | |
| SCHEMBL257116 | 0.77 | AHR (0.36) | AHRTYMP | |
| SCHEMBL13772832 | 0.77 | AHR (0.36) | AHRTYMP | |
| SCHEMBL257120 | 0.77 | AHR (0.36) | AHRTYMP | |
| SCHEMBL256046 | 0.73 | AHR (0.50) | AHR | |
| SCHEMBL28197282 | 0.71 | ALDH1A1 (0.36) | CYP3A4AHRTYMPALDH1A1 | |
| SCHEMBL16167423 | 0.71 | CYP19A1 (0.59) | TP53CYP3A4CYP19A1 | |
| SCHEMBL7546214 | 0.71 | CYP19A1 (0.59) | TP53CYP3A4CYP19A1 | |
| SCHEMBL9131505 | 0.71 | CHAT (0.53) | — | |
| SCHEMBL256033 | 0.71 | CHAT (0.53) | — |
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-2611300-B1 | SUBSTITUTED ANNELATED DIHYDROPYRIMIDINONE COMPOUNDS | BAYER IP GMBH (DE) | 2016-04-06 | — | — | EP | disclosed |