Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4246228 | 0.77 | CHRM2 (0.60) | SLC6A2SLC6A4SLC6A3CHRM2CHRM1 | |
| SCHEMBL4611536 | 0.77 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CHRM2CHRM1 | |
| SCHEMBL4996406 | 0.76 | SLC6A3 (0.56) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL14115528 | 0.76 | SLC6A3 (0.56) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL20970365 | 0.75 | SLC6A2 (0.75) | SLC6A2SLC6A4SLC6A3EPHX2ALDH1A1 | |
| SCHEMBL1095179 | 0.75 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL8110122 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3EPHX2ALDH1A1 | |
| SCHEMBL25620291 | 0.73 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CHRM2CHRM1 | |
| SCHEMBL12551531 | 0.72 | ESR2 (0.70) | ALDH1A1MEN1KMT2AMAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL8116973 | 0.71 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3EPHX2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6069177-A | ADMINISTERING TO THE HUMAN AN EFFECTIVE ANTIDEPRESSANT DOSE OF THE COMPOUND 3-HYDROXY-4,4-DIMETHYL-2-(2'-NAPHTHYL)PENTYL-N,N-DIMETHYLAMINE OR SALT | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) | 2000-05-30 | — | — | US | disclosed |