Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.53 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL532849 | 0.81 | SMN1; SMN2 (0.49) | KMT2AMAPTMEN1POLBALDH1A1 | |
| SCHEMBL532946 | 0.78 | KCNQ2 (0.53) | KMT2AMAPTUSP2NR4A1KCNQ2 | |
| SCHEMBL534076 | 0.78 | POLB (0.53) | KMT2AMAPTNPSR1ATMMEN1 | |
| SCHEMBL533064 | 0.78 | MAPT (0.56) | KMT2AMAPTNPSR1ATMMEN1 | |
| SCHEMBL532971 | 0.77 | MEN1 (0.44) | KMT2AMAPTATMMEN1POLB | |
| SCHEMBL534054 | 0.77 | LMNA (0.46) | KMT2AMAPTMEN1POLBALDH1A1 | |
| SCHEMBL533068 | 0.77 | ALDH1A1 (0.52) | KMT2AMAPTNPSR1ATMMEN1 | |
| SCHEMBL532826 | 0.75 | ALDH1A1 (0.47) | MAPTNPSR1ATMPOLBNPY2R | |
| SCHEMBL534049 | 0.75 | SCN9A (0.47) | KMT2AMAPTMEN1POLBALDH1A1 | |
| SCHEMBL532964 | 0.75 | L3MBTL1 (0.47) | KMT2AMAPTNPSR1USP2ATM |
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 4 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-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |