Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3204956 | 0.98 | ATM (0.53) | ATMALDH1A1CYP2C9CYP2C19LMNA | |
| Methylene Chloride SCHEMBL29038775 | 0.95 | ATM (0.50) | ATMALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL4393180 | 0.85 | LTA4H (0.67) | NPC1RAB9AMMP8LAP3 | |
| SCHEMBL10776860 | 0.83 | CYP1A2 (0.49) | ATMALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL1597773 | 0.82 | MMP8 (0.58) | ALDH1A1LMNAHSD17B10KMT2AMEN1 | |
| SCHEMBL31408748 | 0.82 | TSHR (0.56) | ALDH1A1CYP2C9CYP2C19THRBHSD17B10 | |
| SCHEMBL3248350 | 0.82 | L3MBTL1 (0.49) | ATMALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL163965 | 0.82 | NOS2 (0.47) | ALDH1A1KMT2AMEN1POLBL3MBTL1 | |
| SCHEMBL4816689 | 0.82 | ESR1 (0.63) | KMT2ANPC1RAB9AMIF | |
| SCHEMBL977403 | 0.82 | ESR1 (0.46) | ATMALDH1A1CYP2C9CYP2C19THRB |
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-3313850-B1 | NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2018-10-03 | — | — | EP | disclosed |