Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31490479 | 0.90 | SLC18A3 (0.57) | SLC18A3HRH3MEN1KMT2A | |
| Iodide SCHEMBL8983411 | 0.82 | SLC18A3 (0.50) | SLC18A3MAOAMAOBHRH3MEN1 | |
| SCHEMBL7103234 | 0.82 | SLC18A3 (0.62) | SLC18A3 | |
| Ammonia Solution, Strong SCHEMBL6305319 | 0.82 | SLC18A3 (0.50) | SLC18A3MAOAMAOBHRH3MEN1 | |
| SCHEMBL9346700 | 0.81 | HRH3 (0.50) | SLC18A3HRH3 | |
| SCHEMBL9346706 | 0.81 | HRH3 (0.50) | SLC18A3HRH3 | |
| SCHEMBL7419921 | 0.81 | SLC18A3 (0.60) | SLC18A3MAOAMAOB | |
| Ammonia Solution, Strong SCHEMBL20702116 | 0.81 | SLC18A3 (0.56) | SLC18A3 | |
| SCHEMBL2440428 | 0.81 | SLC18A3 (0.60) | SLC18A3MAOAMAOB | |
| SCHEMBL9133642 | 0.81 | SLC18A3 (0.60) | SLC18A3MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |
| EP-0537269-A1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS. | VERTEX PHARMA (US) | 1993-04-21 | — | — | EP | disclosed |