Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL18949093 | 0.94 | KDM5B (0.32) | NPC1RAB9A | |
| SCHEMBL16906034 | 0.89 | PKM (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6BRD4 | |
| SCHEMBL20031502 | 0.80 | SMURF1 (0.37) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL285408 | 0.76 | JAK2 (0.36) | NPC1RAB9ACASP3SENP7SENP6 | |
| SCHEMBL5736534 | 0.74 | ALDH1A1 (0.41) | ALDH1A1POLBLMNAHTTGAA | |
| SCHEMBL11520965 | 0.73 | ALDH1A1 (0.40) | ALDH1A1POLBLMNAHTTGAA | |
| SCHEMBL285610 | 0.73 | JAK2 (0.34) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL2587909 | 0.71 | ALDH1A1 (0.34) | NPC1RAB9AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL11542180 | 0.71 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1POLBLMNA | |
| SCHEMBL16019489 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954684-A1 | PROCESS FOR THE PREPARATION OF HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS | Ardelyx, Inc. (US) | 2022-02-16 | — | — | EP | disclosed |