Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | CDC42 | P60953 | 1/20 | 0.35 |
| ▸ | RAC1 | P63000 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084933 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL11089935 | 0.81 | ALPG (0.46) | — | |
| SCHEMBL11085352 | 0.80 | ALPG (0.40) | AKR1B1 | |
| SCHEMBL11082635 | 0.79 | MAOA (0.41) | AKR1C3AKR1C2AKR1B1PTGS2PTGS1 | |
| SCHEMBL11082982 | 0.77 | AKR1C3 (0.44) | AKR1C3AKR1C2KDM4EALDH1A1PTGS1 | |
| SCHEMBL11090713 | 0.76 | KMT2A (0.45) | AKR1C3AKR1C2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL11083819 | 0.75 | ALPG (0.47) | KDM4EALDH1A1GAA | |
| SCHEMBL11088552 | 0.73 | KDM4E (0.45) | AKR1C3AKR1C2RXFP1AKR1B1KDM4E | |
| SCHEMBL11084425 | 0.72 | ALPG (0.46) | — | |
| SCHEMBL11090785 | 0.72 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4457927-A | Pyrido[2,1-b]quinazolinone derivatives and the preparation and use thereof | SCHERING, AKTIENGESELLSCHAFT (DE) | 1984-07-03 | — | — | US | disclosed |
| EP-0011142-A1 | Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-05-28 | — | — | EP | disclosed |