Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 2/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.67 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.67 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7182510 | 0.82 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL29387062 | 0.80 | AKR1C3 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL330545 | 0.80 | AKR1C3 (1.00) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11781789 | 0.78 | AKR1C3 (0.96) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL9398447 | 0.78 | AKR1C3 (0.96) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL895511 | 0.78 | AKR1C4 (0.67) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL11760933 | 0.78 | AKR1C4 (0.67) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL9019697 | 0.78 | AKR1C3 (0.96) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL9398455 | 0.78 | AKR1C3 (0.96) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL2070725 | 0.78 | AKR1C4 (0.67) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 |
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-3933472-A | Substituted alkylaryl ketones and methods of use as herbicides | BUCKMAN LABORATORIES, INC. (US) | 1976-01-20 | — | — | US | disclosed |