Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | TET3 | O43151 | 2/20 | 0.37 |
| ▸ | FBXL19 | Q6PCT2 | 2/20 | 0.37 |
| ▸ | CXXC5 | Q7LFL8 | 2/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.37 |
| ▸ | CXXC4 | Q9H2H0 | 2/20 | 0.37 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL29134732 | 0.90 | AKR1C1 (0.41) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL2221 | 0.87 | AKR1C1 (0.55) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL3910628 | 0.85 | AKR1C1 (0.53) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL9966557 | 0.83 | AKR1C1 (0.68) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| Water SCHEMBL3910626 | 0.83 | AKR1C1 (0.52) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL1492737 | 0.83 | AKR1C1 (0.62) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| Hydrochloric Acid SCHEMBL28915897 | 0.81 | AKR1C1 (0.66) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL2384832 | 0.81 | AKR1C1 (0.66) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL29134491 | 0.81 | AKR1C1 (0.41) | AKR1C1KMT2AMEN1TSHRHDAC1 | |
| SCHEMBL30967898 | 0.80 | AKR1C1 (0.46) | AKR1C1KMT2AMEN1TET3FBXL19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |