Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.34 |
| ▸ | PIK3R5 | Q8WYR1 | 2/20 | 0.34 |
| ▸ | PIK3R3 | Q92569 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 3/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9523576 | 0.93 | TP53 (0.34) | TP53MAPTLMNACA1CA2 | |
| SCHEMBL9524294 | 0.92 | ADORA3 (0.34) | TP53MAPTLMNAALDH1A1NPSR1 | |
| SCHEMBL9523480 | 0.88 | MAPT (0.34) | TP53MAPTLMNACA1CA2 | |
| SCHEMBL9316111 | 0.88 | PIK3CD (0.38) | TP53MAPTLMNACA1CA2 | |
| SCHEMBL9316496 | 0.88 | MEN1 (0.40) | TP53MAPTLMNAALDH1A1 | |
| SCHEMBL9316080 | 0.88 | TP53 (0.37) | TP53MAPTLMNACA1CA2 | |
| SCHEMBL9522373 | 0.86 | AURKB (0.34) | TP53MAPTLMNAPIK3CDPIK3R2 | |
| SCHEMBL9316680 | 0.86 | MAPT (0.45) | TP53MAPTLMNAALDH1A1PIK3CD | |
| SCHEMBL9523890 | 0.86 | TP53 (0.35) | TP53MAPTLMNACA1CA2 | |
| SCHEMBL9831280 | 0.86 | PIK3CD (0.37) | TP53MAPTLMNAALDH1A1NPSR1 |
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 2 patents. 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 |
| US-5166152-A | Immunostimulants, bactericides, viricides, antitumor agents | FARMITALIA CARLO ERBA S.R.L. (IT) | 1992-11-24 | — | — | US | disclosed |