Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416830 | 0.76 | — | — | |
| SCHEMBL7422650 | 0.71 | HDAC4 (0.34) | DPP4ALDH1A1KDM4E | |
| SCHEMBL7425753 | 0.70 | SLC6A2 (0.34) | DPP4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL15898234 | 0.69 | ALDH1A1 (0.32) | ALDH1A1KDM4E | |
| SCHEMBL240032 | 0.67 | OPRM1 (0.39) | — | |
| SCHEMBL15898586 | 0.67 | ALDH1A1 (0.40) | DPP4ALDH1A1KDM4ECHRM2CHRM4 | |
| SCHEMBL15898220 | 0.67 | ALDH1A1 (0.38) | DPP4ALDH1A1KDM4ECHRM2CHRM4 | |
| SCHEMBL15898233 | 0.66 | ALDH1A1 (0.36) | ALDH1A1 | |
| 2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 | 0.65 | — | — | |
| SCHEMBL855403 | 0.64 | KDM4E (0.38) | DPP4ALDH1A1KDM4ECHRM2CHRM4 |
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-1995002596-A1 | AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-01-26 | — | — | WO | claimed |