Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.39 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23715829 | 0.79 | S1PR3 (0.44) | NPC1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23715916 | 0.77 | OGG1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23716273 | 0.70 | ALDH1A1 (0.45) | NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL23716026 | 0.70 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL23715832 | 0.70 | S1PR3 (0.58) | — | |
| SCHEMBL23716111 | 0.70 | OGG1 (0.45) | SLC6A4 | |
| SCHEMBL23716193 | 0.69 | OGG1 (0.44) | LMNAALDH1A1 | |
| SCHEMBL23716102 | 0.68 | S1PR3 (0.40) | SLC6A4 | |
| SCHEMBL23715998 | 0.67 | S1PR3 (0.42) | SLC6A4 | |
| SCHEMBL23716312 | 0.67 | S1PR3 (0.52) | — |
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 |