Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
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 SCHEMBL25254223 | 0.98 | SLC22A6 (0.39) | SLC22A6GABRR1LMNAMMP12MMP13 | |
| SCHEMBL8773843 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28701463 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28701466 | 0.70 | — | — | |
| SCHEMBL19487728 | 0.67 | — | — | |
| SCHEMBL14864778 | 0.66 | MME (0.32) | ALDH1A1 | |
| SCHEMBL3090354 | 0.66 | CYP1A2 (0.34) | TSHR | |
| SCHEMBL19483355 | 0.65 | — | — | |
| SCHEMBL19483380 | 0.65 | — | — | |
| SCHEMBL15875530 | 0.64 | CYP4F2 (0.36) | — |
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-115989228-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2023-04-18 | — | — | CN | disclosed |