Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.37 |
| ▸ | PIK3R2 | O00459 | 6/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 6/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 6/20 | 0.37 |
| ▸ | PIK3R5 | Q8WYR1 | 6/20 | 0.37 |
| ▸ | PIK3R3 | Q92569 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9522810 | 0.93 | TP53 (0.39) | TP53PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL9523046 | 0.88 | ALDH1A1 (0.46) | TP53MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9827669 | 0.85 | PTGS1 (0.35) | TP53PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL9526026 | 0.81 | ALDH1A1 (0.48) | TP53MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9522746 | 0.81 | TP53 (0.37) | TP53PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL9523265 | 0.80 | TP53 (0.53) | TP53MAPTPTGS1PTGS2 | |
| SCHEMBL9523795 | 0.77 | ALDH1A1 (0.50) | TP53MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9523022 | 0.74 | MAPT (0.42) | TP53MAPTLMNA | |
| SCHEMBL12275859 | 0.72 | PIK3CD (0.46) | TP53PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL12276272 | 0.72 | ALDH1A1 (0.48) | TP53MAPTLMNAALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0420883-B1 | TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | ERBA CARLO SPA (IT) | 1993-11-03 | — | — | EP | disclosed |