Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 18/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 18/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 17/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 15/20 | 0.43 |
| ▸ | TSHR | P16473 | 14/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.43 |
| ▸ | USP2 | O75604 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 7/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27217755 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30813518 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30813471 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL27217965 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL19320359 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30813701 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL27217966 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30813462 | 0.75 | SRC (0.45) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL27217956 | 0.75 | SRC (0.45) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL27217642 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3191489-B1 | PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-01-06 | — | — | EP | disclosed |
| US-9932346-B2 | Pyrrolopyrimidines for use in influenza virus infection | JANSSEN SCIENCES IRELAND UC (IE) | 2018-04-03 | — | — | US | disclosed |