Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL18231340 | 0.91 | POLB (0.46) | POLBHTR2ACA1CA2ALDH1A1 | |
| SCHEMBL16444141 | 0.84 | HTR2A (0.48) | POLBHTR2ACA1CA2KMT2A | |
| SCHEMBL3136529 | 0.82 | EGFR (0.54) | HTR2ACA1CA2HDAC3HDAC4 | |
| SCHEMBL1567120 | 0.82 | HTR2A (0.47) | POLBHTR2ACA1CA2HDAC3 | |
| SCHEMBL26768078 | 0.81 | HTR2A (0.45) | POLBHTR2ACA1CA2ALDH1A1 | |
| SCHEMBL8993450 | 0.81 | HTR2A (0.45) | POLBHTR2ACA1CA2HDAC3 | |
| SCHEMBL23548026 | 0.81 | EGFR (0.55) | POLBHTR2ACA1CA2HDAC3 | |
| Hydrochloric Acid SCHEMBL8993456 | 0.81 | EGFR (0.53) | HTR2ACA1CA2HDAC3HDAC4 | |
| SCHEMBL8573657 | 0.80 | KMT2A (0.47) | POLBHTR2AKMT2APPARGPPARA | |
| SCHEMBL29099300 | 0.80 | CYP2D6 (0.43) | POLBHTR2AALDH1A1HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022150584-A1 | NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE | YALE UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |