Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | LHCGR | P22888 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL2352568 | 1.00 | S1PR1 (0.66) | S1PR1CYP2C9CYP2D6CYP3A4LHCGR | |
| SCHEMBL2352564 | 1.00 | S1PR1 (0.66) | S1PR1CYP2C9CYP2D6CYP3A4LHCGR | |
| SCHEMBL2351503 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1375949 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL2351500 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1371959 | 0.85 | S1PR1 (0.77) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1371915 | 0.85 | S1PR1 (0.73) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL13392689 | 0.84 | S1PR1 (0.72) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL13422117 | 0.84 | S1PR1 (0.72) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1372469 | 0.84 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802692-B2 | Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents | EXELIXIS, INC. (US) | 2014-08-12 | — | — | US | claimed |
| US-8802692-B2 | Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents | EXELIXIS, INC. (US) | 2014-08-12 | — | — | US | disclosed |
| US-8802692-B2 | Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents | EXELIXIS, INC. (US) | 2014-08-12 | — | — | US | disclosed |
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-20110301188-A1 | Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20110301188-A1 | Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | 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 (2 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-20110301188-A1 | Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885CYP2C9 4445/4885CYP2D6 3958/4885 |
| 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.