Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 15/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23715916 | 0.81 | OGG1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23715832 | 0.81 | S1PR3 (0.58) | S1PR3S1PR1S1PR4S1PR5S1PR2 | |
| SCHEMBL17664156 | 0.79 | S1PR3 (0.61) | S1PR3S1PR1S1PR4S1PR5S1PR2 | |
| SCHEMBL23715936 | 0.79 | NPC1 (0.44) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23716312 | 0.77 | S1PR3 (0.52) | S1PR3S1PR1S1PR4S1PR5S1PR2 | |
| SCHEMBL21130417 | 0.77 | S1PR3 (0.50) | S1PR3S1PR1S1PR4S1PR5NPC1 | |
| SCHEMBL23716111 | 0.74 | OGG1 (0.45) | — | |
| SCHEMBL23716193 | 0.73 | OGG1 (0.44) | — | |
| SCHEMBL23716102 | 0.72 | S1PR3 (0.40) | S1PR3S1PR1S1PR4S1PR5S1PR2 | |
| SCHEMBL23715998 | 0.71 | S1PR3 (0.42) | S1PR3S1PR1S1PR4S1PR5S1PR2 |
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 |