Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8649188 | 0.93 | PDE10A (0.40) | PDE10ATHRBTP53CA12CA1 | |
| SCHEMBL8648707 | 0.83 | CA2 (0.46) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL8650318 | 0.80 | THRB (0.39) | PDE10ATHRBCA12CA1CA9 | |
| SCHEMBL8787860 | 0.79 | CYP1A2 (0.45) | PDE10ATHRBTP53CA12CA1 | |
| SCHEMBL3967013 | 0.79 | CYP1A2 (0.48) | CA12CA1CA9ALDH1A1KMT2A | |
| SCHEMBL8649534 | 0.79 | MTNR1A (0.55) | CA12CA1CA9MTNR1AMAPT | |
| SCHEMBL8788431 | 0.77 | CYP1A2 (0.43) | PDE10ATHRBTP53CA12CA1 | |
| SCHEMBL8647162 | 0.76 | CA2 (0.44) | CA12CA1CA9CA2 | |
| SCHEMBL28483117 | 0.74 | PDE10A (0.50) | PDE10ACA12CA1CA9ALDH1A1 | |
| SCHEMBL948326 | 0.73 | CNR2 (0.56) | THRBCA1ALDH1A1CA2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763444-A | CENTRAL NERVOUS SYSTEM AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |