Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3174371 | 0.89 | DGAT1 (0.38) | DGAT1MAPTPKM | |
| SCHEMBL27886351 | 0.83 | DGAT1 (0.34) | DGAT1MAPTPKM | |
| SCHEMBL365038 | 0.76 | DGAT1 (0.38) | DGAT1MAPTPKM | |
| SCHEMBL556529 | 0.76 | DGAT1 (0.38) | DGAT1ALDH1A1GAAMGAMSI | |
| SCHEMBL6229413 | 0.74 | TSHR (0.37) | DGAT1MAPTALDH1A1GAAMGAM | |
| SCHEMBL8899156 | 0.74 | TSHR (0.37) | DGAT1MAPTALDH1A1GAAMGAM | |
| SCHEMBL12138536 | 0.73 | DGAT1 (0.34) | DGAT1ALDH1A1PKM | |
| SCHEMBL30343873 | 0.73 | DGAT1 (0.34) | DGAT1MAPTALDH1A1 | |
| SCHEMBL3183165 | 0.72 | DGAT1 (0.35) | DGAT1PKM | |
| SCHEMBL1422494 | 0.72 | DGAT1 (0.35) | DGAT1PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132967-B | Compound as ROS1 inhibitor | 詹森药业有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-106132967-A | 4,5,6,7 tetrahydro-pyrazoles being replaced also [1,5 a] pyrimidine derivatives and 2,3 dihydro 1H imidazo [1,2 b] pyrazole derivatives as ROS1 inhibitor | 詹森药业有限公司 | 2016-11-16 | — | — | CN | disclosed |