Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL623816 | 0.89 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| SCHEMBL7308983 | 0.80 | CYP1A2 (0.55) | SLC6A2SLC6A4SLC6A3TAAR1IDO1 | |
| SCHEMBL5181445 | 0.78 | PNMT (0.48) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| SCHEMBL3128931 | 0.78 | PNMT (0.48) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| SCHEMBL28108558 | 0.78 | PNMT (0.48) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| Bromide SCHEMBL14833289 | 0.77 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| SCHEMBL27754727 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| SCHEMBL429892 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3TAAR1PKM | |
| SCHEMBL27754729 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E | |
| Hydrochloric Acid SCHEMBL17045213 | 0.77 | PNMT (0.47) | SLC6A2SLC6A4SLC6A3TAAR1HTR3E |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |