Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.56 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29936157 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL29936396 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL1669178 | 0.95 | DRD1 (0.59) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL16381738 | 0.93 | ALDH1A1 (0.59) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| Benzaldehyde SCHEMBL28675359 | 0.93 | ALDH1A1 (0.67) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL5733969 | 0.91 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL10969109 | 0.91 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| SCHEMBL6032 | 0.91 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| Benzene SCHEMBL28288569 | 0.91 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 | |
| Methane SCHEMBL28723228 | 0.88 | ALDH1A1 (0.65) | ALDH1A1CYP2A6TRIM24TRIM33DRD1 |
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 |