Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL3515268 | 0.82 | CA2 (0.42) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL3515265 | 0.82 | CA2 (0.42) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL453703 | 0.81 | CA2 (0.48) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL226707 | 0.79 | CA2 (0.50) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL225441 | 0.79 | CA2 (0.50) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL183724 | 0.79 | CA2 (0.50) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL11587612 | 0.77 | CA2 (0.44) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL227552 | 0.76 | CA2 (0.41) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL3514271 | 0.74 | CA2 (0.42) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL3514267 | 0.74 | CA2 (0.42) | CA2ALDH1A1CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024235233-A1 | BIO-BASED TRANS-ACONITATE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院青岛生物能源与过程研究所 | 2024-11-21 | — | — | WO | disclosed |
| WO-2003008369-A1 | METHOD FOR PRODUCING CITRIC ACID ESTERS | DHW DEUTSCHE HYDRIERWERKE GMBH RODLEBEN (DE) | 2003-01-30 | — | — | WO | disclosed |