Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4435076 | 0.81 | KDM1A (0.44) | KDM1ASLC6A3OPRL1OPRM1CES2 | |
| SCHEMBL4440469 | 0.80 | SLC6A4 (0.50) | SLC6A3SLC6A4SLC6A2PIM1PIM2 | |
| SCHEMBL4438204 | 0.77 | CYP2A6 (0.34) | MAOAMAOBSLC6A3OPRL1OPRM1 | |
| SCHEMBL6259078 | 0.74 | SLC6A3 (0.40) | MAOAMAOBKDM1ASLC6A3OPRL1 | |
| SCHEMBL12047029 | 0.69 | MAOA (0.44) | MAOAMAOBKDM1ASLC6A3OPRL1 | |
| SCHEMBL4444902 | 0.68 | CHRM1 (0.33) | SLC6A3CES2CES1SLC6A4SLC6A2 | |
| SCHEMBL11755498 | 0.67 | MAOA (0.36) | MAOAMAOBKDM1ASLC6A3OPRL1 | |
| SCHEMBL626533 | 0.67 | SLC6A3 (0.45) | MAOAMAOBKDM1ASLC6A3OPRL1 | |
| SCHEMBL3170202 | 0.67 | SLC6A3 (0.49) | MAOAMAOBKDM1ASLC6A3OPRL1 | |
| Hydrochloric Acid SCHEMBL3170067 | 0.67 | SLC6A3 (0.45) | MAOAMAOBKDM1ASLC6A3OPRL1 |
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 |