Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL27892095 | 0.78 | POLB (0.43) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL21393555 | 0.77 | — | — | |
| SCHEMBL3989018 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL21872358 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL20760728 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL13436390 | 0.74 | ALDH1A1 (0.37) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL12916975 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL21393669 | 0.73 | GAA (0.33) | — | |
| SCHEMBL18924022 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA4 | |
| SCHEMBL12916989 | 0.70 | ALDH1A1 (0.34) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3406142-B1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS | CELGENE INT II SARL (CH) | 2020-12-23 | — | — | EP | disclosed |
| WO-2018064356-A1 | COMPOUNDS AND METHODS FOR TREATING LUPUS | CELGENE INTERNATIONAL II SARL (CH) | 2018-04-05 | — | — | WO | disclosed |
| WO-2015066515-A1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH | RECEPTOS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |
| WO-2012158550-A2 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS, INC. (US) | 2012-11-22 | — | — | WO | disclosed |