Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | ALDH5A1 | P51649 | 3/20 | 0.49 |
| ▸ | ABAT | P80404 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | UNG | P13051 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL142988 | 0.90 | KDM4E (0.64) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 | |
| SCHEMBL27604596 | 0.86 | PTGS2 (0.53) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 | |
| Protocatechualdehyde SCHEMBL29155413 | 0.82 | KDM4E (0.79) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 | |
| Benzaldehyde SCHEMBL27604595 | 0.81 | PTGS1 (0.66) | PTGS2ALDH1A1CYP2A6SIRT1TTR | |
| SCHEMBL172757 | 0.81 | ALOX5 (0.66) | PTGS2SIRT1TTRALOX5PTGS1 | |
| Benzaldehyde SCHEMBL28811827 | 0.78 | ALDH1A1 (0.53) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 | |
| Vanillin SCHEMBL8320727 | 0.77 | ALDH1A1 (0.83) | PTGS2KDM4EALDH1A1ALDH5A1ABAT | |
| 4-Hydroxybenzaldehyde SCHEMBL28743137 | 0.76 | ALDH5A1 (0.61) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 | |
| O-Xylene SCHEMBL28205185 | 0.75 | ALDH1A1 (0.74) | PTGS2ALDH1A1CYP2A6ALDH5A1ABAT | |
| Benzaldehyde SCHEMBL29224678 | 0.75 | ALDH1A1 (0.74) | PTGS2KDM4ERAB9AALDH1A1CYP2A6 |
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-106008504-A | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-10-12 | — | — | CN | disclosed |