Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10707078 | 0.77 | SMN1; SMN2 (0.39) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL12818577 | 0.69 | CYP1A2 (0.41) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL4921042 | 0.68 | CYP1A2 (0.43) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL29150933 | 0.67 | — | — | |
| SCHEMBL28378663 | 0.67 | CYP1A2 (0.42) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL10583397 | 0.67 | CYP1A2 (0.42) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL12818580 | 0.67 | MAPT (0.38) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL10447298 | 0.66 | TSHR (0.48) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL21950917 | 0.66 | KDM4E (0.53) | CYP1A2TSHRGAACA12CA1 | |
| SCHEMBL30271267 | 0.65 | CA1 (0.79) | CYP1A2TSHRCA12CA1CA2 |
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-112300167-B | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2022-01-21 | — | — | CN | disclosed |