Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27579779 | 0.81 | CFD (0.41) | ALDH1A1LMNAL3MBTL1RAB9AACHE | |
| SCHEMBL5740998 | 0.79 | TDP1 (0.39) | ALDH1A1LMNAL3MBTL1RAB9AKMT2A | |
| SCHEMBL3656329 | 0.79 | TDP1 (0.39) | ALDH1A1LMNAL3MBTL1RAB9AMAPK1 | |
| SCHEMBL16493944 | 0.77 | LMNA (0.48) | ALDH1A1LMNAL3MBTL1RAB9AHSD17B10 | |
| SCHEMBL23015280 | 0.73 | MAPT (0.47) | ALDH1A1LMNAL3MBTL1RAB9AKDM4E | |
| SCHEMBL28467811 | 0.72 | ACHE (0.36) | ALDH1A1LMNAL3MBTL1RAB9AACHE | |
| SCHEMBL11798902 | 0.72 | LMNA (0.49) | ALDH1A1LMNAL3MBTL1ACHEPGR | |
| SCHEMBL15687877 | 0.70 | CASP1 (0.58) | ALDH1A1LMNAL3MBTL1RAB9AGAA | |
| SCHEMBL22583410 | 0.70 | MAPK1 (0.49) | ALDH1A1LMNAL3MBTL1GAAMAPK1 | |
| SCHEMBL2047755 | 0.70 | ALDH1A1 (0.45) | ALDH1A1LMNAL3MBTL1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107973809-B | Macrocyclic compounds as factor XIA inhibitors | 百时美施贵宝公司 | 2023-06-30 | — | — | CN | disclosed |