Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 11/20 | 0.69 |
| ▸ | MAOB | P27338 | 11/20 | 0.69 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.51 |
| ▸ | CCND1 | P24385 | 1/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | GPR18 | Q14330 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | TLR4 | O00206 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9819692 | 0.95 | MAOA (0.68) | MAOAMAOBDRD2DRD4DRD3 | |
| SCHEMBL7283922 | 0.94 | MAOA (0.66) | MAOAMAOBDRD2DRD4DRD3 | |
| SCHEMBL30791325 | 0.92 | MAOA (0.71) | MAOAMAOBNPC1RAB9ACCNB2 | |
| SCHEMBL923674 | 0.92 | MAOA (0.71) | MAOAMAOBNPC1RAB9ACCNB2 | |
| SCHEMBL465516 | 0.86 | MAOA (0.59) | MAOAMAOBNPC1RAB9ACCNB2 | |
| SCHEMBL9059700 | 0.85 | MAOA (0.70) | MAOAMAOBNPC1RAB9ACCNB2 | |
| SCHEMBL449062 | 0.85 | PLA2G4A (0.53) | MAOAMAOBRAB9AFFAR1 | |
| SCHEMBL30724528 | 0.85 | MAOA (0.64) | MAOAMAOBNPC1RAB9ACCNB2 | |
| SCHEMBL7285106 | 0.85 | MAOA (0.54) | MAOAMAOBTDP1AKR1B1FFAR1 | |
| SCHEMBL2207662 | 0.84 | MAOA (0.73) | MAOAMAOBNPC1RAB9ACCNB2 |
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-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |