Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL6765361 | 0.79 | — | — | |
| SCHEMBL12544684 | 0.79 | — | — | |
| SCHEMBL807502 | 0.75 | CYP3A4 (0.40) | TSHRCYP3A4ATMTDP1CYP2D6 | |
| SCHEMBL28854881 | 0.75 | TSHR (0.42) | TSHRCYP3A4ATMTDP1RECQL | |
| SCHEMBL25526434 | 0.75 | CYP3A4 (0.40) | TSHRCYP3A4ATMTDP1CYP2D6 | |
| SCHEMBL14989535 | 0.75 | CYP3A4 (0.40) | TSHRCYP3A4ATMTDP1CYP2D6 | |
| SCHEMBL26276677 | 0.75 | TSHR (0.42) | TSHRCYP3A4ATMTDP1RECQL | |
| Hydrochloric Acid SCHEMBL16698594 | 0.74 | CYP3A4 (0.39) | TSHRCYP3A4ATMTDP1CYP2D6 | |
| Hydrochloric Acid SCHEMBL28854856 | 0.74 | TSHR (0.41) | TSHRCYP3A4ATMTDP1RECQL | |
| Hydrochloric Acid SCHEMBL1273080 | 0.74 | CYP3A4 (0.39) | TSHRCYP3A4ATMTDP1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3785717-B1 | METHODS FOR TREATING CORONAVIRIDAE INFECTIONS | GILEAD SCIENCES INC (US) | 2022-01-05 | — | — | EP | disclosed |
| EP-3785717-A1 | METHODS FOR TREATING CORONAVIRIDAE INFECTIONS | Gilead Sciences, Inc. (US) | 2021-03-03 | — | — | EP | disclosed |