Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.57 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4602568 | 1.00 | CYP1A1 (0.57) | CYP1A1CYP1B1KDRBACE1MIF | |
| SCHEMBL4602570 | 1.00 | CYP1A1 (0.57) | CYP1A1CYP1B1KDRBACE1MIF | |
| SCHEMBL584623 | 0.85 | MIF (0.63) | CYP1A1CYP1B1BACE1MIFALDH1A1 | |
| SCHEMBL30632888 | 0.85 | MIF (0.63) | CYP1A1CYP1B1BACE1MIFALDH1A1 | |
| SCHEMBL584622 | 0.85 | MIF (0.63) | CYP1A1CYP1B1BACE1MIFALDH1A1 | |
| SCHEMBL29462467 | 0.85 | MIF (0.63) | CYP1A1CYP1B1BACE1MIFALDH1A1 | |
| SCHEMBL22398265 | 0.84 | CYP1A1 (0.50) | CYP1A1CYP1B1KDRBACE1MIF | |
| SCHEMBL29462470 | 0.84 | CYP1A1 (0.57) | CYP1A1CYP1B1BACE1MIFGAA | |
| SCHEMBL6821761 | 0.84 | CYP1A1 (0.57) | CYP1A1CYP1B1BACE1MIFGAA | |
| Hydrochloric Acid SCHEMBL6821766 | 0.84 | MIF (0.61) | CYP1A1CYP1B1BACE1MIFALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111886234-B | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2023-12-15 | — | — | CN | disclosed |