Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21408377 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL9713997 | 0.85 | CYP1A2 (0.57) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL21408469 | 0.80 | ALDH1A1 (0.48) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL21408358 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL11063029 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL16416490 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL10940181 | 0.76 | TSHR (0.55) | CYP1A2CYP2C19PKMKDM4EPOLB | |
| SCHEMBL21570127 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL17838295 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2C19PKMCA12CA1 | |
| SCHEMBL10937884 | 0.74 | TDP1 (0.56) | CYP1A2CYP2C19PKMCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778569-A1 | N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-02-17 | — | — | EP | disclosed |