Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | BCL9 | O00512 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2173029 | 1.00 | NR1H2 (0.40) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL23452241 | 0.92 | OPRK1 (0.40) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL29202468 | 0.92 | OPRK1 (0.40) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL29202470 | 0.92 | OPRK1 (0.40) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL24645468 | 0.91 | CA1 (0.40) | P2RX3CCR3TLR7 | |
| SCHEMBL1371619 | 0.89 | CCR3 (0.43) | NR1H2NR1H3CYP3A4CCR3AGTR2 | |
| SCHEMBL2171252 | 0.89 | CCR3 (0.43) | NR1H2NR1H3CYP3A4CCR3AGTR2 | |
| SCHEMBL29036351 | 0.89 | CCR3 (0.43) | NR1H2NR1H3CYP3A4CCR3AGTR2 | |
| SCHEMBL1373064 | 0.87 | NR1H2 (0.43) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL21409216 | 0.87 | NR1H2 (0.43) | NR1H2NR1H3CYP1A2POLBCYP3A4 |
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 4 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 |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | 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 | NR1H2 253/4885NR1H3 287/4885CYP1A2 4844/4885 |
“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.