Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EP300 | Q09472 | 15/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
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 SCHEMBL933356 | 0.99 | EP300 (0.52) | EP300HDAC3HDAC1HDAC4HDAC8 | |
| SCHEMBL10097905 | 0.81 | L3MBTL1 (0.61) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| SCHEMBL1709600 | 0.81 | HDAC1 (0.56) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| SCHEMBL1709568 | 0.81 | RAB9A (0.55) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL934544 | 0.81 | L3MBTL1 (0.60) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL934494 | 0.81 | RAB9A (0.54) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL1286555 | 0.81 | HDAC1 (0.55) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL934062 | 0.81 | HDAC1 (0.55) | HDAC3HDAC1HDAC4HDAC8HDAC6 | |
| SCHEMBL29329476 | 0.74 | EP300 (0.73) | EP300CREBBP | |
| SCHEMBL3060427 | 0.74 | MEN1 (0.53) | EP300MEN1KMT2ANPC1 |
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 | EP300 2718/4885HDAC3 2341/4885HDAC1 3460/4885 |
“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.