Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1384202 | 1.00 | NPC1 (0.45) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL7488509 | 1.00 | NPC1 (0.45) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL1380366 | 0.91 | NPC1 (0.39) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL1380360 | 0.91 | NPC1 (0.39) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL1384566 | 0.89 | NPC1 (0.57) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL1384570 | 0.89 | NPC1 (0.57) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL7487764 | 0.87 | MEN1 (0.51) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL7499279 | 0.86 | NPC1 (0.51) | NPC1MEN1KMT2A | |
| SCHEMBL7493743 | 0.86 | NPC1 (0.48) | NPC1MEN1KMT2AADRB1ADRB3 | |
| SCHEMBL1384333 | 0.85 | NPC1 (0.41) | NPC1MEN1KMT2AADRB1ADRB3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4806149-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1216244-A1 | Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | claimed |
| WO-2001019821-A1 | BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-03-22 | — | — | WO | claimed |
| EP-1216244-A1 | Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001019821-A1 | BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-03-22 | — | — | WO | disclosed |