Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL27380324 | 0.77 | CA1 (0.44) | TSHRCYP1A2CYP2C19MAPTCA1 | |
| SCHEMBL28908862 | 0.75 | ALDH1A1 (0.46) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL4134493 | 0.72 | CYP1A2 (0.47) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL25317886 | 0.72 | CYP1A2 (0.47) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL30637024 | 0.72 | CYP1A2 (0.47) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL30636986 | 0.71 | KDM4E (0.43) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL20065135 | 0.71 | CXCR2 (0.41) | TSHRCYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL20074011 | 0.71 | CXCR2 (0.41) | TSHRCYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL14379767 | 0.70 | TSHR (0.44) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL23871678 | 0.69 | TSHR (0.39) | TSHRCYP1A2CYP2C19ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115298176-A | Compounds and their use in the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2022-11-04 | — | — | CN | disclosed |