Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665245 | 0.78 | MAPT (0.40) | ALDH1A1ALOX15MAPK1CA2MEN1 | |
| SCHEMBL29012807 | 0.76 | ESR1 (0.43) | CYP1A2ALDH1A1ALOX15CA2MEN1 | |
| SCHEMBL11015372 | 0.76 | ADRB2 (0.50) | CYP2A6CYP1A2MAPK1MEN1KMT2A | |
| SCHEMBL7867478 | 0.76 | HTR2A (0.39) | HTR2ACYP2A6CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL11243676 | 0.76 | ESR1 (0.43) | CYP1A2ALDH1A1ALOX15CA2MEN1 | |
| SCHEMBL23244675 | 0.76 | PYCR1 (0.40) | HTR2ACYP2A6CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL349497 | 0.76 | ESR1 (0.43) | CYP1A2ALDH1A1ALOX15CA2MEN1 | |
| SCHEMBL3758015 | 0.75 | DPP4 (0.50) | HTR2ADPP4 | |
| SCHEMBL1036920 | 0.75 | DPP4 (0.50) | HTR2ADPP4 | |
| SCHEMBL1036918 | 0.75 | DPP4 (0.50) | HTR2ADPP4 |
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-105593230-A | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME | 2016-05-18 | — | — | CN | disclosed |