Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7584703 | 0.87 | NPC1 (0.53) | NPC1RAB9AMMP8MMP14CA14 | |
| SCHEMBL17664140 | 0.83 | RAB9A (0.56) | NPC1RAB9AMMP8MMP14CA14 | |
| SCHEMBL16838610 | 0.83 | MAPT (0.50) | NPC1RAB9AEPHX1CYP3A4CYP2C9 | |
| SCHEMBL17663794 | 0.82 | NPC1 (0.51) | NPC1RAB9AEPHX1EPHX2GAA | |
| SCHEMBL2537569 | 0.81 | CYP3A4 (0.54) | EPHX1CYP3A4CYP2C9PDGFRAMAPK1 | |
| SCHEMBL23716088 | 0.80 | ALDH1A1 (0.47) | NPC1RAB9ACYP3A4CYP2C9PDGFRA | |
| SCHEMBL17663823 | 0.80 | MEN1 (0.55) | NPC1RAB9AEPHX1EPHX2GAA | |
| SCHEMBL11260997 | 0.78 | CYP3A4 (0.48) | EPHX1CYP3A4CYP2C9PDGFRAMAPK1 | |
| SCHEMBL23716261 | 0.77 | MEN1 (0.49) | NPC1RAB9AMMP8MMP14CA14 | |
| SCHEMBL17664138 | 0.77 | ALDH1A1 (0.56) | NPC1RAB9AMMP8MMP14CA14 |
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-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |