Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3456546 | 0.77 | BLM (0.53) | ALDH1A1MAPTCXCR1CXCR2CA1 | |
| SCHEMBL3456743 | 0.74 | CXCR1 (0.41) | NR1H4EPHX2RXRARXRBCXCR1 | |
| SCHEMBL5438501 | 0.73 | CA1 (0.44) | ALDH1A1MAPTCA1CA2MAPK1 | |
| SCHEMBL27959311 | 0.72 | PTGS1 (0.60) | ALDH1A1ANPEPENPEPCXCR1CXCR2 | |
| SCHEMBL452233 | 0.72 | PTGS1 (0.60) | ALDH1A1ANPEPENPEPCXCR1CXCR2 | |
| SCHEMBL978696 | 0.71 | ESR1 (0.37) | NR1H4ALDH1A1MAPTACACBLMNA | |
| SCHEMBL10749840 | 0.71 | NR1H4 (0.46) | NR1H4EPHX2ALDH1A1NR4A2RXRA | |
| SCHEMBL977245 | 0.70 | PPARA (0.53) | — | |
| SCHEMBL9369118 | 0.68 | ADRB3 (0.56) | ALDH1A1RXRARXRBMAPTANPEP | |
| SCHEMBL72425 | 0.67 | MPO (0.67) | ALDH1A1MAPTCA1CA2LMNA |
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-2258700-A1 | Cycloalkylamino acid derivatives and pharmaceutical compositions thereof | Pfizer Products Inc. (US) | 2010-12-08 | — | — | EP | disclosed |