Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316682 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL27145832 | 0.82 | ACACB (0.47) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL30744989 | 0.79 | HPGD (0.46) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL24269539 | 0.77 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL5846153 | 0.76 | GAA (0.51) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL2818982 | 0.76 | KDM4E (0.53) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL25256914 | 0.76 | CA12 (0.61) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1110936 | 0.75 | HPGD (0.53) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL4208170 | 0.75 | GAA (0.56) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL29746327 | 0.75 | NR4A2 (0.48) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 |
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 |