Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL26190 | 0.96 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL27463443 | 0.94 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL6650232 | 0.92 | PTGS2 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL27463823 | 0.89 | CYP2A6 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL20972417 | 0.89 | CYP2A6 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL27477693 | 0.89 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL27477267 | 0.89 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL27462619 | 0.89 | CYP2A6 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL6649333 | 0.88 | PTGS2 (0.36) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL28031393 | 0.86 | PTGS2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | claimed |
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | disclosed |