Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1266101 | 0.80 | NPC1 (0.53) | ALDH1A1NPC1RAB9AHSD11B1 | |
| SCHEMBL7065633 | 0.74 | SIGMAR1 (0.45) | CHRM2CHRM1CHRM3CYP17A1CYP19A1 | |
| SCHEMBL6828166 | 0.73 | HSD11B1 (0.40) | CYP17A1CYP19A1KDM4EALDH1A1HSD11B1 | |
| SCHEMBL10557172 | 0.72 | HTR1A (0.40) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL10558441 | 0.71 | ALDH1A1 (0.41) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL2045062 | 0.69 | NPC1 (0.59) | CYP1A2ALDH1A1NPC1RAB9AHSD11B1 | |
| SCHEMBL493020 | 0.68 | CYP1A2 (0.56) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL13204879 | 0.68 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL13204975 | 0.68 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL27794086 | 0.67 | CYP1A2 (0.54) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004048352-A2 | 2-CYANOPYRROLIDINES AND THEIR ANALOGUES AS DPP-IV INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-10 | — | — | WO | disclosed |