Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.68 |
| ▸ | CNR1 | P21554 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1939380 | 1.00 | NPSR1 (0.68) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL13498508 | 0.91 | NPSR1 (0.69) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL14272626 | 0.86 | NPSR1 (0.49) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL2832926 | 0.83 | ADORA1 (0.49) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL13800046 | 0.83 | ADORA1 (0.49) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL1939347 | 0.83 | NPSR1 (0.56) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL19835709 | 0.82 | CNR1 (0.55) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL7284448 | 0.81 | NPSR1 (1.00) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL29904596 | 0.81 | NPSR1 (1.00) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL14532195 | 0.80 | CNR1 (0.46) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| EP-2064183-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | US | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | US | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | 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-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | S1PR4, S1PR3, S1PR1 | NPSR1 48/4885CYP1A2 1133/4885CYP2C9 1674/4885 |
“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.