Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.61 |
| ▸ | TTR | P02766 | 3/20 | 0.61 |
| ▸ | BACE1 | P56817 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | ABL1 | P00519 | 6/20 | 0.53 |
| ▸ | BCR | P11274 | 6/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14416282 | 1.00 | CYP1A1 (0.61) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL15287783 | 0.88 | CYP1A1 (0.67) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL256043 | 0.88 | CYP1A1 (0.67) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL14416281 | 0.88 | CYP1A1 (0.67) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL4679569 | 0.85 | CYP1A1 (0.61) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL4679562 | 0.85 | CYP1A1 (0.61) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL28890060 | 0.84 | LCK (0.59) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL14143445 | 0.84 | ALOX5 (0.59) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL9605433 | 0.79 | CYP1A1 (0.67) | CYP1A1CYP1B1PTGS2ALOX5TTR | |
| SCHEMBL12729847 | 0.77 | CYP1A1 (0.65) | CYP1A1CYP1B1PTGS2ALOX5TTR |
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 |