Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL30989945 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL3828695 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL7042463 | 0.81 | CA12 (0.57) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL30639556 | 0.80 | POLB (0.43) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL12794738 | 0.80 | POLB (0.43) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL27032969 | 0.80 | POLB (0.43) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL23970775 | 0.79 | ATR (0.43) | ALDH1A1KDM4EHSD17B10POLBGRM4 | |
| SCHEMBL25068658 | 0.79 | POLB (0.42) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL22090396 | 0.79 | TDP1 (0.42) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL1044983 | 0.79 | TDP1 (0.42) | ALDH1A1KDM4EHSD17B10POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| CN-110016025-A | A kind of immunomodulator | 成都先导药物开发股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-104812755-A | Pyrazolopyridine derivatives as TTX-S blockers | RAQUALIA PHARMA INC | 2015-07-29 | — | — | CN | disclosed |