Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 6/20 | 0.35 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | KDM1A | O60341 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2036589 | 0.77 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BHRH3 | |
| SCHEMBL7599981 | 0.77 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BHRH3 | |
| SCHEMBL7609590 | 0.77 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BHRH3 | |
| SCHEMBL7609588 | 0.77 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BHRH3 | |
| SCHEMBL7599978 | 0.77 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BHRH3 | |
| SCHEMBL30298332 | 0.77 | ALDH1A1 (0.43) | KDM1AHTR2CHTR2AHTR2B | |
| SCHEMBL413656 | 0.77 | ALDH1A1 (0.43) | KDM1AHTR2CHTR2AHTR2B | |
| SCHEMBL1389049 | 0.75 | EDNRA (0.52) | EDNRASIGMAR1EDNRB | |
| Bromide SCHEMBL28348255 | 0.74 | ALDH1A1 (0.42) | KDM1AHTR2CHTR2AHTR2B | |
| SCHEMBL7912606 | 0.73 | SIGMAR1 (0.49) | SIGMAR1HTR2CHTR2AHTR2BHRH3 |
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-4151182-A | CATALYTIC OXIDATION FROM INDANS OR DIPHENYLMETHANE DERIVATIVES | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) | 1979-04-24 | — | — | US | disclosed |