Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | FPR1 | P21462 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL22904608 | 0.73 | MAPT (0.42) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL22522130 | 0.73 | AOC3 (0.52) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL24963463 | 0.70 | MAPT (0.39) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL24258782 | 0.69 | TMIGD3 (0.36) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5708660 | 0.67 | DRD2 (0.40) | ALDH1A1MAPTNFKB1HDAC1HDAC6 | |
| SCHEMBL8003695 | 0.67 | — | — | |
| SCHEMBL19288042 | 0.67 | NOS1 (0.42) | RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL24259060 | 0.67 | TMIGD3 (0.35) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5670311 | 0.66 | NPC1 (0.36) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL143961 | 0.65 | CYP1A2 (0.68) | ALDH1A1MEN1KMT2AL3MBTL1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323815-A1 | HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE | Aerpio Therapeutics, Inc. (US) | 2018-05-23 | — | — | EP | disclosed |