Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | ASH1L | Q9NR48 | 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 | |
|---|---|---|---|---|
| SCHEMBL24872829 | 0.80 | OPRK1 (0.39) | CYP3A4ALDH1A1CYP1A2CYP2C9KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27762963 | 0.80 | ALDH1A1 (0.34) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27369293 | 0.75 | AHR (0.39) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL27771265 | 0.73 | LMNA (0.41) | CYP3A4USP2ALDH1A1MEN1CYP1A2 | |
| Ethoxycarbonyl Group SCHEMBL27768538 | 0.71 | TSHR (0.37) | USP2GAAMAPT | |
| Ethoxycarbonyl Group SCHEMBL27551543 | 0.71 | NR3C1 (0.35) | NUDT1CYP3A4ALDH1A1CYP1A2MAPT | |
| SCHEMBL20350309 | 0.69 | ALDH1A1 (0.36) | NUDT1CYP3A4ALDH1A1MEN1CYP1A2 | |
| Ethoxycarbonyl Group SCHEMBL27945159 | 0.68 | CYP3A4 (0.40) | CYP3A4USP2MEN1MAPTKMT2A | |
| Catechol SCHEMBL28070313 | 0.68 | CA2 (0.44) | CYP3A4ALDH1A1MEN1GAACYP2D6 | |
| SCHEMBL29415599 | 0.68 | KDM4E (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1058969-C | Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof | SUMITOMO PHARMA (JP) | 2000-11-29 | — | — | CN | disclosed |
| CN-1161334-A | Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof | SUMITOMO PHARMA (JP) | 1997-10-08 | — | — | CN | disclosed |