Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 12/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 12/20 | 0.42 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11436265 | 0.90 | MT-CO2 (0.39) | AKR1C3AKR1C2GPR139SOS1 | |
| SCHEMBL11088617 | 0.81 | HTT (0.43) | AKR1C3AKR1C2AKR1B1PTGS2KDM4E | |
| SCHEMBL11079315 | 0.79 | AKR1C3 (0.45) | AKR1C3AKR1C2 | |
| SCHEMBL11078408 | 0.74 | AKR1C3 (0.48) | AKR1C3AKR1C2AKR1B1PTGS2MEN1 | |
| SCHEMBL11085356 | 0.74 | AKR1B1 (0.38) | AKR1C3AKR1C2AKR1B1PTGS2CYP1A2 | |
| SCHEMBL11085549 | 0.72 | AKR1C3 (0.46) | AKR1C3AKR1C2 | |
| SCHEMBL11083819 | 0.71 | ALPG (0.47) | KDM4EALDH1A1 | |
| SCHEMBL11088552 | 0.71 | KDM4E (0.45) | AKR1C3AKR1C2GPR139AKR1B1PTGS2 | |
| SCHEMBL11084425 | 0.70 | ALPG (0.46) | — | |
| SCHEMBL11256752 | 0.70 | MT-CO2 (0.43) | GPR139PTGS2KDM4EALDH1A1CYP1A2 |
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 3 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 | claimed |
| 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 |