Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651816 | 0.76 | CYP2C19 (0.37) | CYP2C19CA1CA9 | |
| SCHEMBL980668 | 0.71 | — | — | |
| SCHEMBL31539187 | 0.71 | — | — | |
| SCHEMBL7136305 | 0.68 | ALDH1A1 (0.58) | TAAR1DAOKCNH2MAOBMAOA | |
| Fluoride SCHEMBL27972865 | 0.68 | ALDH1A1 (0.65) | TAAR1CA1CA2KCNH2MAOB | |
| SCHEMBL979154 | 0.66 | CYP2C19 (0.41) | CYP2C19LMNAMAOBMAOA | |
| SCHEMBL3394136 | 0.66 | CALM1 (0.44) | CYP2C19TAAR1LMNAMAOBMAOA | |
| SCHEMBL62125 | 0.66 | ALDH1A1 (0.69) | TAAR1CA1CA2KCNH2MAOB | |
| SCHEMBL9741303 | 0.66 | ALDH1A1 (0.69) | TAAR1CA1CA2KCNH2MAOB | |
| Benzene SCHEMBL3440179 | 0.66 | ALDH1A1 (0.69) | TAAR1CA1CA2KCNH2MAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | claimed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | claimed |
| EP-1142887-A1 | 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents | PARKE, DAVIS & COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |