Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPY2R | P49146 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.43 |
| ▸ | WDR5 | P61964 | 2/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL532826 | 0.91 | ALDH1A1 (0.47) | ALDH1A1LMNAL3MBTL1NPY2RCHRNB2 | |
| SCHEMBL532809 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAL3MBTL1NPY2RCHRNB2 | |
| SCHEMBL533138 | 0.88 | NPC1 (0.46) | ALDH1A1LMNAL3MBTL1CHRNB2CHRNB4 | |
| SCHEMBL532902 | 0.85 | L3MBTL1 (0.43) | ALDH1A1LMNAL3MBTL1NPY2RCHRNB2 | |
| SCHEMBL533307 | 0.83 | F10 (0.43) | ALDH1A1LMNAL3MBTL1GAAKDM4E | |
| SCHEMBL533536 | 0.83 | L3MBTL1 (0.49) | ALDH1A1LMNAL3MBTL1GAAKDM4E | |
| SCHEMBL533668 | 0.83 | HDAC7 (0.43) | ALDH1A1LMNAL3MBTL1CHRNA3CHRNA4 | |
| SCHEMBL8318404 | 0.82 | L3MBTL1 (0.42) | ALDH1A1LMNAL3MBTL1NPY2RCHRNB2 | |
| SCHEMBL532940 | 0.81 | GAA (0.50) | ALDH1A1LMNAL3MBTL1NPY2RHTT | |
| SCHEMBL533116 | 0.81 | MAPT (0.46) | ALDH1A1LMNAL3MBTL1GAAKDM4E |
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 |
| WO-2004073634-A2 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC. (US) | 2004-09-02 | — | — | WO | disclosed |