Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL546544 | 0.80 | SIGMAR1 (0.45) | SIGMAR1TRPM8DRD2HTR2AALDH1A1 | |
| SCHEMBL6467973 | 0.80 | SIGMAR1 (0.45) | SIGMAR1TRPM8DRD2HTR2AEPHX2 | |
| SCHEMBL462820 | 0.80 | SIGMAR1 (0.45) | SIGMAR1TRPM8DRD2HTR2AEPHX2 | |
| SCHEMBL10382409 | 0.80 | CYP2C19 (0.39) | ALDH1A1MAOAMAOB | |
| SCHEMBL29736073 | 0.80 | SIGMAR1 (0.45) | SIGMAR1TRPM8DRD2HTR2AALDH1A1 | |
| SCHEMBL3926924 | 0.79 | SIGMAR1 (0.47) | SIGMAR1TRPM8DRD2HTR2AEPHX2 | |
| Hydrochloric Acid SCHEMBL27471847 | 0.78 | SIGMAR1 (0.44) | SIGMAR1TRPM8DRD2HTR2AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL29163352 | 0.78 | SIGMAR1 (0.44) | SIGMAR1TRPM8DRD2HTR2AALDH1A1 | |
| SCHEMBL31015909 | 0.77 | SIGMAR1 (0.43) | SIGMAR1TRPM8DRD2HTR2AEPHX2 | |
| SCHEMBL6447320 | 0.77 | SIGMAR1 (0.43) | SIGMAR1TRPM8DRD2HTR2AEPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4515975-A | Chroman derivatives and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1985-05-07 | — | — | US | claimed |
| US-20090111043-A1 | ENVIRONMENT-FRIENDLY TONER FOR ELECTROPHOTOGRAPHY AND METHOD OF PREPARING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2009-04-30 | — | — | US | disclosed |
| EP-1432695-A1 | A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS | Wyeth (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003031429-A1 | A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS | WYETH (US) | 2003-04-17 | — | — | WO | disclosed |