Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL23069730 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRAKR1C3AKR1C1CYP2D6 | |
| SCHEMBL30063040 | 0.80 | KMT2A (0.49) | ALDH1A1TSHRAKR1C3AKR1C1LMNA | |
| SCHEMBL11261129 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TSHRAKR1C3AKR1C1CYP2D6 | |
| SCHEMBL11261126 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TSHRAKR1C3AKR1C1CYP2D6 | |
| SCHEMBL28563855 | 0.70 | ALDH1A1 (0.56) | ALDH1A1TSHRAKR1C3AKR1C1CYP2A6 | |
| SCHEMBL28563853 | 0.70 | ALDH1A1 (0.56) | ALDH1A1TSHRAKR1C3AKR1C1CYP2A6 | |
| SCHEMBL6331875 | 0.69 | ALDH1A1 (0.60) | ALDH1A1TSHRAKR1C3AKR1C1CYP2D6 | |
| SCHEMBL6331873 | 0.69 | ALDH1A1 (0.60) | ALDH1A1TSHRAKR1C3AKR1C1CYP2D6 | |
| SCHEMBL155213 | 0.69 | ALDH1A1 (0.60) | ALDH1A1TSHRAKR1C3AKR1C1CYP2A6 | |
| SCHEMBL1759350 | 0.69 | ALDH1A1 (0.60) | ALDH1A1TSHRAKR1C3AKR1C1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021045879-A1 | SYNTHESIS OF DEUTERATED ALDEHYDES | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-03-11 | — | — | WO | disclosed |