Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9403425 | 0.90 | CYP3A4 (0.55) | CYP3A4TSHRMAPK1APAF1ALDH1A1 | |
| SCHEMBL725848 | 0.78 | TSHR (0.36) | CYP3A4TSHRMAPK1GAAKMT2A | |
| SCHEMBL9094447 | 0.78 | ESR1 (0.35) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7930504 | 0.76 | CYP3A4 (0.35) | CYP3A4TSHRMAPK1GAAKMT2A | |
| SCHEMBL655093 | 0.75 | S100B (0.52) | CYP3A4TSHRMAPK1APAF1ALDH1A1 | |
| SCHEMBL439013 | 0.74 | CYP3A4 (0.80) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL113803 | 0.72 | CYP3A4 (1.00) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL31703327 | 0.72 | CYP3A4 (0.75) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL11870402 | 0.72 | CYP3A4 (0.68) | CYP3A4TSHRMAPK1APAF1ALDH1A1 | |
| SCHEMBL33943 | 0.71 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7579340-B2 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | PFIZER INC (US) | 2009-08-25 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-20070293503-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. | 2007-12-20 | — | — | US | disclosed |
| US-7288538-B2 | Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2007-10-30 | — | — | US | disclosed |
| US-20050049286-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS INC. | 2005-03-03 | — | — | US | disclosed |
| US-20040180892-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS INC. | 2004-09-16 | — | — | 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 (3 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-20050049286-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | CCR9, CCR1, CCRL2 | CYP3A4 4199/4885TSHR 1741/4885MAPK1 2363/4885 |
| US-20040180892-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | CCR9, CCR1, CCRL2 | CYP3A4 4199/4885TSHR 1741/4885MAPK1 2363/4885 |
| US-20070293503-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | CCR9, CCR1, CCRL2 | CYP3A4 4199/4885TSHR 1741/4885MAPK1 2363/4885 |
“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.