Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL9833570 | 0.94 | NR1H4 (0.40) | PTGS1PTGS2NR1H4POLBMEN1 | |
| SCHEMBL9833370 | 0.86 | PTGS1 (0.41) | PTGS1PTGS2NR1H4POLBKDM4E | |
| SCHEMBL9833342 | 0.85 | NR1H4 (0.41) | PTGS1PTGS2NR1H4POLBMEN1 | |
| SCHEMBL9833995 | 0.83 | MAPT (0.41) | PTGS1PTGS2POLBMEN1KMT2A | |
| SCHEMBL9832810 | 0.82 | CNR1 (0.42) | PTGS1PTGS2NR1H4MEN1KMT2A | |
| SCHEMBL10569407 | 0.81 | MAPT (0.42) | PTGS1PTGS2NR1H4POLBTP53 | |
| SCHEMBL9833345 | 0.81 | NR1H4 (0.42) | PTGS1PTGS2NR1H4POLBMEN1 | |
| SCHEMBL9176172 | 0.81 | SMN1; SMN2 (0.41) | POLBMEN1KMT2AKDM4ECASP1 | |
| SCHEMBL9834849 | 0.80 | NR1H4 (0.40) | PTGS1PTGS2NR1H4POLBMEN1 | |
| SCHEMBL9834065 | 0.80 | RIPK1 (0.39) | PTGS1PTGS2NR1H4POLBMEN1 |
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 |