Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 1.00 |
| ▸ | NOS2 | P35228 | 4/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | MTOR | P42345 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1978784 | 0.88 | SLC6A4 (0.79) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL8971236 | 0.86 | SLC6A4 (0.76) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL8197696 | 0.85 | SLC6A4 (1.00) | SLC6A4CYP2D6SLC6A2KCNH2NPC1 | |
| SCHEMBL5011928 | 0.85 | SLC6A4 (1.00) | SLC6A4CYP2D6SLC6A2KCNH2NPC1 | |
| SCHEMBL31733949 | 0.84 | SLC6A4 (0.75) | SLC6A4CYP2D6SLC6A2KCNH2CACNA2D1 | |
| SCHEMBL7053900 | 0.84 | SLC6A4 (0.75) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL1200912 | 0.84 | SLC6A4 (0.75) | SLC6A4CYP2D6SLC6A2KCNH2CACNA2D1 | |
| SCHEMBL30163449 | 0.84 | SLC6A4 (0.75) | SLC6A4CYP2D6SLC6A2KCNH2CACNA2D1 | |
| SCHEMBL5014117 | 0.84 | SLC6A4 (0.75) | SLC6A4CYP2D6SLC6A2KCNH2CACNA2D1 | |
| SCHEMBL1200769 | 0.84 | SLC6A4 (0.75) | SLC6A4CYP2D6SLC6A2KCNH2CACNA2D1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831799-B1 | COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS | NPS PHARMA INC (US) | 2003-05-02 | — | — | EP | claimed |