Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28678472 | 0.85 | ALDH1A1 (0.37) | TAAR1SIGMAR1IDO1CA12CA1 | |
| SCHEMBL7400862 | 0.83 | DRD2 (0.35) | TAAR1ADRA1ASIGMAR1CA12CA1 | |
| SCHEMBL7386695 | 0.81 | CYP2D6 (0.41) | TAAR1ADRA1ASIGMAR1CA12CA1 | |
| SCHEMBL10748671 | 0.81 | TAAR1 (0.49) | TAAR1ADRA1ACYP1A2 | |
| SCHEMBL8183757 | 0.80 | ALDH1A1 (0.36) | TAAR1AOC3ALDH1A1CYP1A2 | |
| SCHEMBL9053089 | 0.80 | HRH2 (0.37) | TAAR1SIGMAR1ALDH1A1HRH3CYP1A2 | |
| SCHEMBL6638432 | 0.79 | HTR2A (0.44) | AOC3CYP1A2 | |
| SCHEMBL462206 | 0.79 | PTGS2 (0.42) | — | |
| SCHEMBL457740 | 0.79 | CA1 (0.35) | TAAR1SIGMAR1IDO1CA12CA1 | |
| SCHEMBL7676584 | 0.78 | HTT (0.40) | TAAR1ALDH1A1CYP1A2 |
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-5614562-A | Method of treating drug resistant tumor cells using organoselenones | THE UNIVERSITY OF SOURTHERN CALIFORNIA (US) | 1997-03-25 | — | — | US | disclosed |