Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20199621 | 1.00 | DCTPP1 (0.54) | DCTPP1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL20199403 | 0.89 | KDM4E (0.54) | RAB9ANPC1KDM4EHPGDALDH1A1 | |
| SCHEMBL20199422 | 0.84 | DCTPP1 (0.56) | DCTPP1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL30050781 | 0.84 | DCTPP1 (0.56) | DCTPP1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL20199384 | 0.80 | MAPT (0.46) | RAB9ANPC1KDM4EHPGDALDH1A1 | |
| SCHEMBL14734326 | 0.78 | ALDH1A1 (0.41) | RAB9ANPC1KDM4EHPGDALDH1A1 | |
| SCHEMBL20199459 | 0.78 | MAPT (0.44) | RAB9ANPC1KDM4EHPGDALDH1A1 | |
| SCHEMBL25151263 | 0.78 | KDM4E (0.45) | RAB9ANPC1KDM4EHPGDALDH1A1 | |
| SCHEMBL30224595 | 0.75 | CYP2A6 (0.43) | ALDH1A1MAPTGSK3BGSK3A | |
| SCHEMBL23992875 | 0.75 | CYP2A6 (0.43) | ALDH1A1MAPTGSK3BGSK3A |
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-110225912-B | GSK-3 inhibitors | 百时美施贵宝公司 | 2022-10-21 | — | — | CN | disclosed |