Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 5/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.34 |
| ▸ | PIK3R5 | Q8WYR1 | 5/20 | 0.34 |
| ▸ | PIK3R3 | Q92569 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | 0.91 | NR1H4 (0.40) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL10569407 | 0.91 | MAPT (0.42) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9833345 | 0.90 | NR1H4 (0.42) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9831849 | 0.90 | PTGS1 (0.42) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9832341 | 0.88 | PTGS1 (0.39) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9316748 | 0.88 | MAPT (0.44) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9834849 | 0.85 | NR1H4 (0.40) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9319611 | 0.85 | MAPT (0.43) | TP53POLBMAPTPTGS1PTGS2 | |
| SCHEMBL9834004 | 0.85 | PTGS1 (0.38) | NR1H4TP53POLBMAPTPTGS1 | |
| SCHEMBL9832888 | 0.84 | RIPK1 (0.38) | NR1H4TP53POLBMAPTPTGS1 |
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 |