Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28166197 | 0.83 | CYP3A4 (0.49) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL28275392 | 0.81 | CYP3A4 (0.47) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL6248707 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL27870950 | 0.80 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL5404290 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL7213996 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL21920454 | 0.77 | TSHR (0.58) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL4534402 | 0.76 | TSHR (0.47) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL8217861 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL15510744 | 0.73 | CYP3A4 (0.62) | ALDH1A1CYP3A4TSHRTDP1ATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |