Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1384854 | 1.00 | NPC1 (0.46) | NPC1DNM1MAPTKMT2AMEN1 | |
| SCHEMBL7487764 | 0.89 | MEN1 (0.51) | NPC1KMT2AMEN1ADRB3ADRB1 | |
| SCHEMBL1384570 | 0.88 | NPC1 (0.57) | NPC1DNM1KMT2AMEN1ADRB3 | |
| SCHEMBL1384566 | 0.88 | NPC1 (0.57) | NPC1DNM1KMT2AMEN1ADRB3 | |
| SCHEMBL7491393 | 0.86 | NPC1 (0.41) | NPC1KMT2AMEN1SMN1; SMN2ADRB3 | |
| SCHEMBL7493743 | 0.86 | NPC1 (0.48) | NPC1KMT2AMEN1ADRB3ADRB1 | |
| SCHEMBL7491383 | 0.86 | NPC1 (0.41) | NPC1KMT2AMEN1SMN1; SMN2ADRB3 | |
| SCHEMBL5367873 | 0.85 | MAPT (0.47) | NPC1DNM1MAPTKMT2AMEN1 | |
| SCHEMBL5366117 | 0.85 | MAPT (0.47) | NPC1DNM1MAPTKMT2AMEN1 | |
| SCHEMBL5366109 | 0.85 | MAPT (0.47) | NPC1DNM1MAPTKMT2AMEN1 |
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 3 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 |