Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 5/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.45 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | CFTR | P13569 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13980507 | 0.80 | ESR1 (0.79) | ESR1ESR2MAOBMAOACSNK2A2 | |
| Iodide SCHEMBL10901962 | 0.78 | ESR1 (0.49) | ESR1ESR2MAOBMAOACSNK2A2 | |
| SCHEMBL10901534 | 0.75 | MAOB (0.70) | ESR1ESR2MAOBMAOANPC1 | |
| SCHEMBL10899283 | 0.72 | RARA (0.46) | MAOBMAOACSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL10899406 | 0.72 | HIF1A (0.50) | ESR1ESR2MAOBMAOACYP1A2 | |
| SCHEMBL14849034 | 0.72 | NPC1 (0.46) | MAOBCYP1A2CYP1A1CYP1B1CFTR | |
| SCHEMBL10899360 | 0.71 | MAOB (0.51) | MAOBCYP1A2NPC1RAB9AGAA | |
| SCHEMBL10901522 | 0.70 | ESR1 (0.51) | ESR1ESR2CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL8800060 | 0.69 | F2RL3 (0.47) | ESR1ESR2MAOBMAOACYP1A2 | |
| SCHEMBL1119325 | 0.68 | ESR1 (1.00) | ESR1ESR2MAOBMAOACSNK2A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4600719-A | Tetrahydropyridine and piperidine derivatives | CIBA GEIGY CORPORATION (US) | 1986-07-15 | — | — | US | disclosed |
| US-4210655-A | Anti-depressant benzofuranyl piperidines | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |