Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27618192 | 0.92 | MEN1 (0.44) | CYP2C9CYP2C19HSD17B10TDP1MEN1 | |
| SCHEMBL3521016 | 0.92 | CYP2C9 (0.63) | CYP2C9CYP2C19HSD17B10PPARAMMP2 | |
| SCHEMBL11339009 | 0.87 | AGBL2 (0.47) | CYP2C9CYP2C19HSD17B10MMP2MEN1 | |
| SCHEMBL933825 | 0.87 | CYP2C9 (0.46) | CYP2C9CYP2C19HSD17B10TDP1PPARA | |
| SCHEMBL6658202 | 0.85 | MEN1 (0.40) | CYP2C9CYP2C19HSD17B10MEN1KMT2A | |
| SCHEMBL6788461 | 0.85 | CYP2C9 (0.56) | CYP2C9CYP2C19HSD17B10PPARAMMP2 | |
| SCHEMBL11563095 | 0.85 | CYP2C9 (0.55) | CYP2C9CYP2C19HSD17B10PPARAMEN1 | |
| SCHEMBL11562132 | 0.85 | CYP2C9 (0.59) | CYP2C9CYP2C19HSD17B10PPARAMMP2 | |
| SCHEMBL28703755 | 0.85 | CYP2C9 (0.59) | CYP2C9CYP2C19HSD17B10PPARAMMP2 | |
| SCHEMBL933757 | 0.84 | CYP2C9 (0.54) | CYP2C9CYP2C19HSD17B10PPARAPPARG |
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 | CYP2C9 2965/4885CYP2C19 2153/4885HSD17B10 4088/4885 |
“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.