Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2554162 | 1.00 | AKR1C3 (0.52) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL15579003 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL3485765 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL3818255 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL15579002 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL83065 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL11139568 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| Ammonia Solution, Strong SCHEMBL4743624 | 0.79 | ABCG2 (0.56) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL10437231 | 0.79 | AKR1C3 (0.53) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 | |
| SCHEMBL8351839 | 0.79 | AKR1C3 (0.53) | AKR1C3AKR1C1CYP2C9CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0904396-B1 | PRODUCTION OF VANILLIN | PLANT BIOSCIENCE LTD (GB) | 2004-02-18 | — | — | EP | claimed |