Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628773 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL3523171 | 0.93 | MMP1 (0.34) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL8239738 | 0.91 | ALDH1A1 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL995885 | 0.91 | ALDH1A1 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL10156974 | 0.91 | ALDH1A1 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL995888 | 0.91 | ALDH1A1 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL19215370 | 0.91 | ALDH1A1 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL13652715 | 0.88 | HRH3 (0.36) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL8246317 | 0.88 | CTSB (0.46) | ADRB3ADRA2BADRA2COPRM1OPRL1 | |
| SCHEMBL15159925 | 0.88 | CYP3A4 (0.38) | ADRB3ADRA2BADRA2COPRM1OPRL1 |
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-2118091-B1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | JANSSEN SCIENCES IRELAND UC (IE) | 2015-04-15 | — | — | EP | disclosed |