Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.61 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.61 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | TEK | Q02763 | 1/20 | 0.51 |
| ▸ | PTAFR | P25105 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12435674 | 0.84 | CYP3A4 (0.64) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL4966893 | 0.84 | CYP2A6 (0.69) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL15060898 | 0.83 | TDP1 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL14080858 | 0.83 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL8200325 | 0.83 | CYP2A6 (0.68) | CYP2A6CYP1A2L3MBTL1CYP2D6 | |
| SCHEMBL3400752 | 0.82 | CYP2A6 (0.79) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL29468039 | 0.82 | CYP2A6 (0.79) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL9826765 | 0.82 | HTR2A (0.62) | — | |
| SCHEMBL20888564 | 0.81 | CYP2A6 (0.56) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13527201 | 0.81 | TDP1 (0.65) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | ALLERGAN, INC. (US) | 2011-11-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | CYP2A6 3025/4885MKNK1 1006/4885MKNK2 1150/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.