Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4438204 | 0.81 | CYP2A6 (0.34) | HSD11B1MAOBSLC6A3MAOAOPRM1 | |
| SCHEMBL4446504 | 0.81 | MAOA (0.39) | MAOBSLC6A3MAOAOPRM1OPRD1 | |
| SCHEMBL4440469 | 0.77 | SLC6A4 (0.50) | SLC6A3KMT2A | |
| SCHEMBL4444902 | 0.71 | CHRM1 (0.33) | SLC6A3 | |
| SCHEMBL10157188 | 0.70 | SLC6A3 (0.39) | HSD11B1MAOBSLC6A3MAOACYP3A4 | |
| SCHEMBL4435076 | 0.69 | KDM1A (0.44) | SLC6A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL27811583 | 0.67 | SLC6A3 (0.37) | MAOBSLC6A3MAOAOPRM1OPRD1 | |
| SCHEMBL1836883 | 0.66 | MAOB (0.39) | HSD11B1MAOBSLC6A3MAOACYP3A4 | |
| Formic Acid SCHEMBL28100896 | 0.65 | ESR1 (0.47) | HSD11B1SLC6A3DAOALDH1A1 | |
| SCHEMBL4437241 | 0.64 | SLC6A3 (0.45) | SLC6A3OPRM1OPRD1OPRK1OPRL1 |
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-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |