Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 2/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL21851206 | 0.88 | TDP1 (0.52) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| SCHEMBL23685247 | 0.88 | TDP1 (0.52) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| SCHEMBL21465958 | 0.78 | HPGD (0.71) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| Hydrochloric Acid SCHEMBL29106619 | 0.75 | HPGD (0.68) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| SCHEMBL23977356 | 0.70 | HSD17B10 (0.48) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| SCHEMBL2683360 | 0.68 | TDP1 (0.57) | HPGDALDH1A1ALOX12TDP1KDM4E | |
| SCHEMBL6863517 | 0.66 | GAA (0.57) | HPGDALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL172875 | 0.65 | HPGD (1.00) | HPGDALDH1A1ALOX12TDP1CYP1A2 | |
| SCHEMBL24137168 | 0.65 | HPGD (1.00) | HPGDALDH1A1ALOX12TDP1CYP1A2 | |
| SCHEMBL9461706 | 0.65 | HPGD (1.00) | HPGDALDH1A1ALOX12TDP1CYP1A2 |
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-2021013209-A1 | MACROCYCLIC DERIVATIVES AS FACTOR XIA INHIBITORS | 南京明德新药研发有限公司 | 2021-01-28 | — | — | WO | disclosed |