Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26628603 | 0.81 | TAAR1 (0.63) | TAAR1AOC3CYP2D6HTR2ACALM1 | |
| SCHEMBL21594142 | 0.81 | TAAR1 (0.63) | TAAR1AOC3CYP2D6HTR2ACALM1 | |
| SCHEMBL26613652 | 0.81 | TAAR1 (0.63) | TAAR1AOC3CYP2D6HTR2ACALM1 | |
| SCHEMBL27582471 | 0.79 | TAAR1 (0.60) | TAAR1AOC3CYP2D6HTR2ACALM1 | |
| SCHEMBL13006639 | 0.76 | TAAR1 (0.69) | TAAR1AOC3IDO1AGXTCHRM2 | |
| SCHEMBL15092674 | 0.74 | SLC22A1 (0.65) | TAAR1AOC3 | |
| SCHEMBL269429 | 0.74 | SLC22A1 (0.65) | TAAR1AOC3 | |
| SCHEMBL670039 | 0.74 | SLC22A1 (0.65) | TAAR1AOC3 | |
| SCHEMBL10062052 | 0.74 | SLC22A1 (0.65) | TAAR1AOC3 | |
| SCHEMBL3898874 | 0.74 | SLC22A1 (0.65) | TAAR1AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573873-A | Preparation method of 3- [ (1R, 2R) -3- (dimethylamino) -1-ethyl-2-methylpropyl ] -phenol | 桑多斯股份公司 | 2017-04-19 | — | — | CN | disclosed |