Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | PIK3R5 | Q8WYR1 | 2/20 | 0.42 |
| ▸ | PIK3R3 | Q92569 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833914 | 0.92 | PTGS1 (0.44) | PTGS1PTGS2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL9832768 | 0.90 | CCNA2 (0.44) | PTGS1PTGS2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL9832311 | 0.90 | PTGS1 (0.46) | PTGS1PTGS2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL9834058 | 0.90 | PTGS1 (0.43) | PTGS1PTGS2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL9834213 | 0.88 | NR1H4 (0.47) | CYP1A2HIF1APIK3CDPIK3R2PIK3CA | |
| SCHEMBL9834202 | 0.87 | PIK3CD (0.45) | PTGS1PTGS2PIK3CDPIK3R2PIK3CA | |
| SCHEMBL9832563 | 0.83 | CCNA2 (0.37) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL9833834 | 0.81 | PTGS1 (0.44) | PTGS1PTGS2CYP1A2PIK3CDPIK3R2 | |
| SCHEMBL9833824 | 0.80 | SMN1; SMN2 (0.40) | PTGS1PTGS2CYP1A2PIK3CDPIK3R2 | |
| SCHEMBL9835879 | 0.80 | ALDH1A1 (0.45) | CYP1A2PIK3CDPIK3R2PIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0274443-B1 | HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-05-29 | — | — | EP | disclosed |
| US-4816467-A | BACTERICIDES, VIRICIDES | FARMITALIA CARLO ERBA S.R.L (IT) | 1989-03-28 | — | — | US | disclosed |
| EP-0274443-A1 | Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-07-13 | — | — | EP | disclosed |