Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27142929 | 0.86 | CES2 (0.62) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL28286624 | 0.84 | ALDH1A1 (0.61) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL3388760 | 0.84 | NPC1 (0.62) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL5109110 | 0.84 | CES2 (0.55) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL9420544 | 0.83 | KMT2A (0.60) | CES2CES1TP53KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL29506783 | 0.83 | NPC1 (0.61) | CES2CES1TP53KMT2AMEN1 | |
| Fluoride SCHEMBL27588568 | 0.83 | NPC1 (0.61) | CES2CES1TP53KMT2AMEN1 | |
| Ammonia Solution, Strong SCHEMBL9555537 | 0.83 | NPC1 (0.61) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL26343299 | 0.83 | ALDH1A1 (0.61) | CES2CES1TP53KMT2AMEN1 | |
| SCHEMBL6965282 | 0.82 | CES2 (0.66) | CES2CES1TP53KMT2AMEN1 |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |