Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1374798 | 1.00 | S1PR1 (0.52) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 | |
| SCHEMBL1374880 | 0.83 | CYP1A2 (0.40) | CYP3A4CYP1A2POLBCYP2C19LMNA | |
| SCHEMBL2170427 | 0.83 | CYP1A2 (0.40) | CYP3A4CYP1A2POLBCYP2C19LMNA | |
| SCHEMBL1372044 | 0.83 | S1PR1 (0.77) | S1PR1CYP2C9CYP2D6CYP3A4NPSR1 | |
| SCHEMBL1371689 | 0.81 | S1PR1 (0.46) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 | |
| SCHEMBL1375463 | 0.81 | CYP3A4 (0.57) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 | |
| SCHEMBL1375465 | 0.81 | CYP3A4 (0.57) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 | |
| SCHEMBL1372885 | 0.80 | S1PR1 (0.79) | S1PR1CYP2C9CYP2D6CYP3A4LMNA | |
| SCHEMBL2173583 | 0.80 | S1PR1 (0.79) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 | |
| SCHEMBL1371498 | 0.80 | S1PR1 (0.79) | S1PR1CYP2C9CYP2D6CYP3A4HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | 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-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | S1PR1, S1PR2, S1PR3 | S1PR1 1/4885CYP2C9 4875/4885CYP2D6 4804/4885 |
“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.