Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 20/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18124267 | 0.92 | S1PR5 (0.52) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124308 | 0.91 | S1PR5 (0.56) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124283 | 0.89 | S1PR5 (0.44) | S1PR5S1PR1S1PR3 | |
| SCHEMBL325633 | 0.84 | S1PR5 (0.57) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124269 | 0.83 | S1PR5 (0.63) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124271 | 0.83 | S1PR5 (0.63) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124270 | 0.81 | S1PR5 (0.57) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124312 | 0.80 | S1PR5 (0.71) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124260 | 0.80 | S1PR5 (0.57) | S1PR5S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL18124293 | 0.77 | S1PR5 (0.63) | S1PR5S1PR1S1PR3 |
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-3144312-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie B.V. (NL) | 2017-03-22 | — | — | EP | disclosed |
| EP-2590955-B9 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2017-02-22 | — | — | EP | disclosed |
| EP-2590955-B1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2016-10-12 | — | — | EP | disclosed |