Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.70 |
| ▸ | CES2 | O00748 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | F2 | P00734 | 1/20 | 0.63 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Benzoyl Peroxide SCHEMBL28549174 | 0.94 | LMNA (0.65) | CES1CES2LMNAF2ALOX5 | |
| SCHEMBL1436249 | 0.92 | CES1 (0.65) | CES1CES2LMNATDP1POLB | |
| SCHEMBL254774 | 0.89 | CES1 (0.70) | CES1CES2LMNAALOX5TDP1 | |
| Methane SCHEMBL28800504 | 0.87 | CES1 (0.68) | CES1CES2LMNAALOX5TDP1 | |
| SCHEMBL27579680 | 0.86 | CES2 (0.57) | CES1CES2LMNAF2ALOX5 | |
| SCHEMBL27459060 | 0.85 | CES1 (0.65) | CES1CES2LMNAALOX5TDP1 | |
| Benzoyl Peroxide SCHEMBL28866148 | 0.84 | LMNA (0.74) | CES1CES2LMNAF2ALOX5 | |
| SCHEMBL3152071 | 0.84 | ALDH1A1 (0.53) | CES1CES2LMNAALOX5TDP1 | |
| SCHEMBL7655082 | 0.82 | CES1 (0.49) | CES1CES2ALOX5TDP1POLB | |
| SCHEMBL1370034 | 0.82 | CES1 (1.00) | CES1CES2LMNATDP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1199396-A | Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases | HOFFMANN LA ROCHE (CH) | 1998-11-18 | — | — | CN | disclosed |