Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20993323 | 0.81 | CHRNA7 (0.37) | CYP1A2CYP2D6ALDH1A1MAOASLC6A4 | |
| SCHEMBL20993317 | 0.79 | ADRB2 (0.50) | HTR2AHPGDSLC6A4 | |
| SCHEMBL20993316 | 0.79 | AOC3 (0.39) | DPP4ALDH1A1MAOASLC6A4 | |
| SCHEMBL15165328 | 0.78 | SCN4A (0.45) | DPP4 | |
| SCHEMBL5461547 | 0.78 | SCN4A (0.45) | DPP4 | |
| SCHEMBL16291590 | 0.78 | SCN4A (0.45) | DPP4 | |
| SCHEMBL1419641 | 0.77 | GBA1 (0.47) | ALDH1A1MAOACA1CA2 | |
| SCHEMBL28429831 | 0.77 | RIPK1 (0.39) | HTR2ACYP1A2CYP2D6ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL20211268 | 0.77 | SCN4A (0.44) | DPP4ALDH1A1SLC6A4 | |
| Hydrochloric Acid SCHEMBL20211265 | 0.77 | SCN4A (0.44) | DPP4ALDH1A1SLC6A4 |
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-9079930-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-07-14 | — | — | US | disclosed |