Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27724292 | 1.00 | ATM (0.45) | ATMALDH1A1CA12CA2CA7 | |
| SCHEMBL27703699 | 0.92 | ESR1 (0.49) | KMT2ARAB9A | |
| SCHEMBL4144654 | 0.92 | MIF (0.49) | ATMALDH1A1CA12CA2CA7 | |
| SCHEMBL27277367 | 0.84 | ALPI (0.49) | ALDH1A1LMNACTRB1CYP2C9CYP2C19 | |
| SCHEMBL4157630 | 0.84 | ESR1 (0.52) | KMT2ARAB9A | |
| SCHEMBL27724294 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CA12CA7CA9CA14 | |
| SCHEMBL4157751 | 0.82 | ATM (0.47) | ATMALDH1A1CA12CA2CA7 | |
| SCHEMBL5399979 | 0.81 | ALDH1A1 (0.48) | ATMALDH1A1CA12CA2CA7 | |
| SCHEMBL4152615 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CA12CA7CA9CA14 | |
| SCHEMBL27703669 | 0.81 | CTRB1 (0.48) | ATMALDH1A1CA12CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180267-A | Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof | OBSCHESTVO S OGRANICHENNOI OTV (RU) | 2008-05-14 | — | — | CN | claimed |
| CN-101180267-B | Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof | OBSCHESTVO S OGRANICHENNOI OTV | 2015-06-17 | — | — | CN | disclosed |
| CN-101180267-A | Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof | OBSCHESTVO S OGRANICHENNOI OTV (RU) | 2008-05-14 | — | — | CN | disclosed |