Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8370055 | 0.92 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10TSHRGAA | |
| SCHEMBL31154359 | 0.89 | AKR1C3 (0.61) | ALDH1A1KDM4EHSD17B10TSHRGAA | |
| SCHEMBL31154464 | 0.89 | AKR1C3 (0.61) | ALDH1A1KDM4EHSD17B10TSHRGAA | |
| SCHEMBL13267179 | 0.85 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TSHRGAA | |
| SCHEMBL23368783 | 0.84 | AKR1C3 (0.49) | ALDH1A1AKR1C3AKR1C1 | |
| SCHEMBL21679193 | 0.83 | NPC1 (0.57) | ALDH1A1KDM4EHSD17B10TSHRGAA | |
| SCHEMBL15966309 | 0.83 | SLC6A3 (0.49) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2HTT | |
| SCHEMBL23368720 | 0.83 | SLC6A3 (0.49) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2HTT | |
| SCHEMBL23368722 | 0.83 | SLC6A3 (0.49) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2HTT | |
| SCHEMBL16695577 | 0.83 | SLC6A3 (0.49) | AKR1C3AKR1C1 |
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-2019032631-A1 | OXIME ETHER COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-02-14 | — | — | WO | disclosed |