Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28290322 | 0.98 | CA12 (0.37) | CA12CA1CA9SIGMAR1MMP1 | |
| SCHEMBL28291785 | 0.94 | CA12 (0.35) | CA12CA1CA9SIGMAR1BCHE | |
| SCHEMBL28291781 | 0.94 | CA12 (0.35) | CA12CA1CA9SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL28290340 | 0.92 | GNAI3 (0.35) | CA12CA1CA9SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL28629335 | 0.92 | GNAI3 (0.35) | CA12CA1CA9SIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL28290328 | 0.92 | GNAI3 (0.35) | CA12CA1CA9SIGMAR1BCHE | |
| SCHEMBL28969039 | 0.73 | BCHE (0.39) | CA12CA1CA9SIGMAR1BCHE | |
| SCHEMBL22160661 | 0.72 | KDM4E (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL22160703 | 0.72 | KDM4E (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL22160677 | 0.72 | KDM4E (0.41) | SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109641878-B | DIPROVOCIM: effective TLR agonist | 斯克里普斯研究学院 | 2021-09-14 | — | — | CN | disclosed |
| CN-109641878-A | DIPROVOCIM: a new class of effective TLR agonist | 斯克里普斯研究学院 | 2019-04-16 | — | — | CN | disclosed |