Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 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 SCHEMBL933189 | 0.99 | RAB9A (0.61) | RAB9ANPC1ALDH1A1MAPK1HDAC3 | |
| SCHEMBL1709568 | 0.78 | RAB9A (0.55) | RAB9ANPC1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL1709600 | 0.78 | HDAC1 (0.56) | RAB9ANPC1ALDH1A1MAPK1HDAC3 | |
| Hydrochloric Acid SCHEMBL934494 | 0.77 | RAB9A (0.54) | RAB9ANPC1ALDH1A1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL934062 | 0.77 | HDAC1 (0.55) | RAB9ANPC1ALDH1A1MAPK1HDAC3 | |
| Hydrochloric Acid SCHEMBL1286555 | 0.77 | HDAC1 (0.55) | RAB9ANPC1ALDH1A1MAPK1HDAC3 | |
| SCHEMBL25346779 | 0.73 | RAB9A (0.62) | RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL10097905 | 0.72 | L3MBTL1 (0.61) | RAB9ANPC1ALDH1A1MAPK1HDAC3 | |
| SCHEMBL8722102 | 0.72 | HDAC3 (0.61) | RAB9ANPC1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL2839194 | 0.72 | EPHX1 (0.62) | HDAC3HDAC1HDAC4HDAC8HDAC6 |
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 | RAB9A 2924/4885NPC1 1507/4885ALDH1A1 3344/4885 |
“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.