Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.65 |
| ▸ | GCK | P35557 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | GRM5 | P41594 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL933927 | 0.99 | FFAR2 (0.63) | FFAR2GCKCYP3A4GRM5RAB9A | |
| SCHEMBL1709590 | 0.94 | FFAR2 (0.58) | FFAR2GCKCYP3A4GRM5RAB9A | |
| Hydrochloric Acid SCHEMBL934919 | 0.93 | FFAR2 (0.57) | FFAR2GCKCYP3A4GRM5RAB9A | |
| SCHEMBL1709567 | 0.90 | GCK (0.61) | FFAR2GCKRAB9ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL933546 | 0.88 | GCK (0.60) | FFAR2GCKRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1709544 | 0.85 | GCK (0.57) | FFAR2GCKRAB9ANPC1TSHR | |
| SCHEMBL1709591 | 0.84 | GCK (0.56) | FFAR2GCKRAB9ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL933840 | 0.84 | GCK (0.56) | FFAR2GCKRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1709595 | 0.84 | GCK (0.56) | FFAR2GCKCYP3A4RAB9ANPC1 | |
| SCHEMBL1709603 | 0.84 | GCK (0.56) | FFAR2GCKRAB9ANPC1TSHR |
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-20120088800-A1 | 2-(SUBSTITUTED) (ARYLMETHYL, ARYLOXY and ARYLTHIO))-N-(SUBSTITUTED PYRIDIN-2-YL)-2-(SUBSTITUTED ARYL) COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-3 (S1P3) RECEPTORS | ALLERGAN, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| WO-2011008475-A1 | OPTIONALLY SUBSTITUTED 2-(ARYLMETHYL, ARYLOXY OR ARYLTHIO) -N- PYRIDIN-2 -YL-ARYL ACETAMIDE OR 2, 2-BIS (ARYL) -N-PYRIDIN-2-YL ACETAMIDE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF EYE DISEASES | ALLERGAN, INC. (US) | 2011-01-20 | — | — | 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-20120088800-A1 | 2-(SUBSTITUTED) (ARYLMETHYL, ARYLOXY and ARYLTHIO))-N-(SUBSTITUTED PYRIDIN-2-YL)-2-(SUBSTITUTED ARYL) COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-3 (S1P3) RECEPTORS | S1PR3, S1PR5, S1PR1 | FFAR2 117/4885GCK 2816/4885CYP3A4 2789/4885 |
“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.