Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6068742 | 0.92 | CYP1A2 (0.45) | CYP1A2EPHX1HIF1ACYP2C9SLC6A2 | |
| Hydrochloric Acid SCHEMBL27783235 | 0.90 | CYP1A2 (0.44) | CYP1A2EPHX1HIF1ACYP2C9HTR2A | |
| Dicyclohexylcarbodiimide SCHEMBL11813048 | 0.89 | CYP1A2 (0.37) | CYP1A2EPHX1HIF1AADRB2HTR1A | |
| Phosphoric Acid SCHEMBL28832745 | 0.85 | CYP1A2 (0.40) | CYP1A2EPHX1HIF1ACYP2C9 | |
| Diethyl Hydrogen Phosphate SCHEMBL27840807 | 0.83 | CYP1A2 (0.35) | CYP1A2CYP2C9ADRB2HTR1ASLC6A2 | |
| SCHEMBL6509489 | 0.79 | CYP1A2 (0.40) | CYP1A2EPHX1HIF1AADRB2HTR1A | |
| SCHEMBL27902050 | 0.75 | CYP2C9 (0.47) | CYP1A2CYP2C9ADRB2HTR1ASLC6A2 | |
| SCHEMBL8170852 | 0.75 | CYP2C9 (0.41) | CYP1A2CYP2C9SLC6A2SLC6A4 | |
| SCHEMBL6817229 | 0.75 | CYP2C9 (0.41) | CYP1A2CYP2C9 | |
| SCHEMBL7147430 | 0.69 | CYP1A2 (0.52) | CYP1A2EPHX1HIF1ACYP2C9 |
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 | CYP1A2 4844/4885EPHX1 1982/4885HIF1A 3369/4885 |
“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.