Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL490739 | 0.85 | NPC1 (0.50) | CHRM1L3MBTL1NPC1RAB9AALDH1A1 | |
| SCHEMBL1395611 | 0.83 | ESR1 (0.62) | ESR1ESR2AKR1B10AKR1B1MAOB | |
| SCHEMBL27494792 | 0.78 | ALDH1A1 (0.52) | HCAR2CHRM1L3MBTL1LMNATDP1 | |
| SCHEMBL21634088 | 0.78 | ALDH1A1 (0.52) | HCAR2CHRM1L3MBTL1LMNATDP1 | |
| SCHEMBL3823366 | 0.77 | KDM4E (0.62) | HCAR2CHRM1L3MBTL1LMNATDP1 | |
| SCHEMBL10427476 | 0.75 | CHRM1 (0.49) | ESR1ESR2AKR1B10AKR1B1HCAR2 | |
| SCHEMBL3905721 | 0.73 | LMNA (0.50) | ESR1ESR2AKR1B10AKR1B1L3MBTL1 | |
| SCHEMBL28342981 | 0.73 | HCAR2 (0.50) | ESR1ESR2AKR1B10AKR1B1MAOB | |
| SCHEMBL1129589 | 0.73 | ESR1 (1.00) | ESR1ESR2AKR1B10AKR1B1MAOB | |
| SCHEMBL5810647 | 0.73 | LMNA (0.51) | CHRM1L3MBTL1LMNAALDH1A1 |
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-3322400-A1 | COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |
| CN-101203278-A | Ultraviolet protection | MERCK PATENT GMBH (DE) | 2008-06-18 | — | — | CN | disclosed |