Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.38 |
| ▸ | NPC1 | O15118 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22476207 | 1.00 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL28534007 | 0.94 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL21589682 | 0.94 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL22476171 | 0.94 | NR1H4 (0.35) | NR1H4SLC10A2 | |
| SCHEMBL29188956 | 0.93 | RAB9A (0.37) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL22476214 | 0.91 | SLC10A2 (0.38) | NR1H4SLC10A2 | |
| SCHEMBL22476198 | 0.90 | NR1H4 (0.36) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL28533917 | 0.90 | NR1H4 (0.36) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL22476241 | 0.90 | NR1H4 (0.34) | NR1H4 | |
| SCHEMBL22476215 | 0.90 | NR1H4 (0.38) | NR1H4ALDH1A1 |
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-112449637-A | Benzothia (di) azepanes and their use as bile acid modulators | 阿尔比里奥公司 | 2021-03-05 | — | — | CN | disclosed |