Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23093217 | 0.78 | ERN1 (0.39) | TACR3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23108239 | 0.77 | ENPP1 (0.36) | MEN1KMT2ATACR3CYP1A2CYP3A4 | |
| SCHEMBL5678745 | 0.70 | HNF4A (0.76) | HNF4AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10948911 | 0.68 | HNF4A (0.73) | HNF4AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL942728 | 0.68 | HNF4A (0.67) | HNF4AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10052155 | 0.68 | ENPP3 (0.45) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL9235039 | 0.66 | HNF4A (0.59) | HNF4AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL39140 | 0.66 | HPGD (0.61) | HNF4AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL5512580 | 0.66 | HDAC1 (0.41) | ALDH1A1KDM4EL3MBTL1LMNATSHR | |
| SCHEMBL31011017 | 0.66 | HPGD (0.61) | HNF4AALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |