Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.34 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.33 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899708 | 0.86 | NR5A2 (0.38) | ASAH1NAAAOPRM1OPRD1OPRK1 | |
| SCHEMBL28899643 | 0.72 | OPRK1 (0.40) | ALDH1A1ASAH1ACER2NAAAOPRM1 | |
| SCHEMBL28899706 | 0.66 | OPRM1 (0.43) | ALDH1A1ASAH1ACER2NAAAOPRM1 | |
| SCHEMBL30632554 | 0.64 | ALDH1A1 (0.40) | ALDH1A1TSHROPRK1 | |
| SCHEMBL18342994 | 0.64 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL5815457 | 0.63 | CHRM2 (0.40) | ALDH1A1TSHR | |
| SCHEMBL5818428 | 0.60 | MME (0.40) | OPRM1OPRD1OPRK1OPRL1KCNQ2 | |
| SCHEMBL28046467 | 0.60 | ALOX5 (0.40) | ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL15390385 | 0.59 | SLC6A2 (0.39) | CYP2C19KCNQ2 | |
| Decane SCHEMBL28986149 | 0.58 | MTOR (0.51) | ALDH1A1ASAH1ACER2NAAA |
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-115414480-A | Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme | 德玛医药 | 2022-12-02 | — | — | CN | disclosed |