Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25080875 | 0.80 | NOTUM (0.59) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL8409450 | 0.80 | KDM1A (0.40) | NOTUM | |
| SCHEMBL30194577 | 0.79 | NOTUM (0.53) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL29012566 | 0.78 | BPTF (0.64) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL30309908 | 0.78 | BPTF (0.64) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL25080895 | 0.78 | BPTF (0.64) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL30194608 | 0.78 | BPTF (0.64) | NOTUMCHRM2CHRM1CHRM4USP30 | |
| SCHEMBL8407515 | 0.77 | KDM1A (0.38) | — | |
| SCHEMBL4948851 | 0.76 | ALDH1A1 (0.52) | CHRM4DRD2DRD3KMT2A | |
| SCHEMBL8409543 | 0.75 | KDM1A (0.41) | — |
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-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |