Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30452296 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL4416992 | 0.96 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL4462844 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL4456713 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL12242147 | 0.83 | CYP3A4 (0.52) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL8034700 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL3417281 | 0.81 | CYP3A4 (0.53) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL4443571 | 0.81 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL32678917 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1LMNA | |
| SCHEMBL32678915 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203279-A1 | ADHESION PREVENTIVE AGENT FOR UNVULCANIZED RUBBER AND AQUEOUS DISPERSION OF ADHESION PREVENTIVE AGENT FOR UNVULCANIZED RUBBER | LION SPECIALTY CHEMICALS CO., LTD. (JP) | 2023-06-29 | — | — | US | disclosed |