Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.38 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9834004 | 0.94 | PTGS1 (0.38) | NR1H4KMT2AMEN1POLBKDM4E | |
| SCHEMBL9833342 | 0.91 | NR1H4 (0.41) | NR1H4KMT2AMEN1POLBKDM4E | |
| SCHEMBL10569407 | 0.88 | MAPT (0.42) | NR1H4POLBPIK3CDPIK3R2PIK3CA | |
| SCHEMBL9833345 | 0.87 | NR1H4 (0.42) | NR1H4KMT2AMEN1POLBKDM4E | |
| SCHEMBL9176172 | 0.87 | SMN1; SMN2 (0.41) | KMT2AMEN1POLBKDM4ECASP1 | |
| SCHEMBL9832341 | 0.85 | PTGS1 (0.39) | NR1H4POLBPIK3CDPIK3R2PIK3CA | |
| SCHEMBL9316748 | 0.85 | MAPT (0.44) | NR1H4POLBKDM4EALDH1A1PIK3CD | |
| SCHEMBL9831849 | 0.85 | PTGS1 (0.42) | NR1H4POLBKDM4EALDH1A1PIK3CD | |
| SCHEMBL9836400 | 0.83 | MAPT (0.46) | KMT2AMEN1POLBKDM4ECASP1 | |
| SCHEMBL9834849 | 0.82 | NR1H4 (0.40) | NR1H4KMT2AMEN1POLBKDM4E |
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 |