Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9690362 | 0.78 | ALDH1A1 (0.57) | KDM4EMEN1KMT2ADRD2HTR2A | |
| SCHEMBL9824935 | 0.78 | KCNH2 (0.48) | KCNH2DRD2HTR2ADRD3 | |
| SCHEMBL9825802 | 0.78 | MALT1 (0.42) | CYP3A4CYP2D6CYP1A2BCHEMAOB | |
| SCHEMBL19852411 | 0.77 | KCNH2 (0.46) | KCNH2HTR2A | |
| SCHEMBL19852525 | 0.77 | KCNH2 (0.46) | KCNH2HTR2A | |
| SCHEMBL9692045 | 0.75 | KCNH2 (0.50) | KCNH2CYP2D6CYP1A2KDM4EKMT2A | |
| SCHEMBL9339570 | 0.75 | DRD2 (0.59) | KCNH2DRD2HTR2ADRD3 | |
| SCHEMBL9825234 | 0.73 | ADRA2A (0.55) | DRD2 | |
| Hydrochloric Acid SCHEMBL9824882 | 0.72 | ADRA2A (0.54) | CYP2D6MEN1KMT2ADRD2 | |
| SCHEMBL10407828 | 0.71 | DRD2 (0.48) | KCNH2CYP3A4CYP1A2KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252005-B1 | HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-07-10 | — | — | EP | disclosed |
| EP-0252005-A1 | Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds | CIBA-GEIGY AG (CH) | 1988-01-07 | — | — | EP | disclosed |