Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1446097 | 0.79 | PARP1 (0.46) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL1446555 | 0.79 | LMNA (0.48) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL17664392 | 0.78 | PARP1 (0.45) | CYP2D6PARP1ALDH1A1PDE4DCYP2C19 | |
| SCHEMBL1445833 | 0.75 | CYP2A6 (0.46) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL4929542 | 0.75 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL232662 | 0.75 | ACHE (0.49) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL29373118 | 0.75 | ACHE (0.49) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| SCHEMBL28457079 | 0.75 | CYP3A4 (0.44) | CYP1A2CYP2C9HSD17B10CYP3A4MAPK1 | |
| SCHEMBL30542089 | 0.74 | ACHE (0.48) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 | |
| Hydrochloric Acid SCHEMBL7823346 | 0.74 | ACHE (0.48) | CYP1A2CYP2C9CYP2D6ALOX15CASP1 |
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 2 patents. 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 |
| WO-2016053855-A1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-04-07 | — | — | WO | disclosed |