Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.63 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26613652 | 1.00 | TAAR1 (0.63) | TAAR1AOC3CALM1CAMKK2IDO1 | |
| SCHEMBL26628603 | 1.00 | TAAR1 (0.63) | TAAR1AOC3CALM1CAMKK2IDO1 | |
| SCHEMBL27582471 | 0.85 | TAAR1 (0.60) | TAAR1AOC3CALM1CAMKK2IDO1 | |
| SCHEMBL16740953 | 0.82 | MAOB (0.53) | — | |
| SCHEMBL13006639 | 0.81 | TAAR1 (0.69) | TAAR1AOC3IDO1AGXTCHRM2 | |
| SCHEMBL28137582 | 0.81 | TAAR1 (0.55) | TAAR1AOC3CALM1CAMKK2IDO1 | |
| SCHEMBL27561802 | 0.80 | TAAR1 (0.54) | TAAR1AOC3CALM1CAMKK2IDO1 | |
| SCHEMBL24925835 | 0.80 | TAAR1 (0.67) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL8592674 | 0.80 | TAAR1 (0.67) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL9781361 | 0.80 | TAAR1 (0.72) | TAAR1AOC3IDO1AGXTCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019238267-A1 | A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL | PHARMATHEN S.A. (GR) | 2019-12-19 | — | — | WO | disclosed |