Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21056162 | 0.88 | SIGMAR1 (0.53) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isopropylamine SCHEMBL27323125 | 0.87 | MAOA (0.61) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| Methylamine SCHEMBL9350485 | 0.87 | TAAR1 (0.55) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| Benzene SCHEMBL28308118 | 0.87 | TP53 (0.58) | TAAR1SIGMAR1SLC6A2CYP2A6SLC6A4 | |
| SCHEMBL11594885 | 0.87 | TP53 (0.58) | TAAR1SIGMAR1SLC6A2CYP2A6SLC6A4 | |
| SCHEMBL40575 | 0.87 | — | — | |
| Benzene SCHEMBL3223041 | 0.87 | TP53 (0.58) | TAAR1SIGMAR1SLC6A2CYP2A6SLC6A4 | |
| Isopropyl Alcohol SCHEMBL28164596 | 0.86 | SIGMAR1 (0.51) | SIGMAR1TP53 | |
| Alanine SCHEMBL28885548 | 0.86 | KIF11 (0.52) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| Hydrochloric Acid SCHEMBL5792976 | 0.85 | TP53 (0.55) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA |
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-5504253-A | Amine preparation | NPS PHARMACEUTICALS, INC. (US) | 1996-04-02 | — | — | US | claimed |
| US-5648540-A | Amine preparation | NPS PHARMACEUTICALS, INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5504253-A | Amine preparation | NPS PHARMACEUTICALS, INC. (US) | 1996-04-02 | — | — | US | disclosed |