Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | CCR6 | P51684 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL26381069 | 0.88 | CA12 (0.34) | CA12CA1CA2CA9MTOR | |
| SCHEMBL29395755 | 0.88 | CA12 (0.34) | CA12CA1CA2CA9MTOR | |
| SCHEMBL26072377 | 0.68 | MMP13 (0.41) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL26381068 | 0.66 | CA12 (0.53) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL21014310 | 0.65 | ALDH1A1 (0.41) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL12241625 | 0.65 | ALDH1A1 (0.42) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL2149410 | 0.63 | TSHR (0.52) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL5761130 | 0.63 | GAA (0.52) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL26384171 | 0.63 | MMP13 (0.38) | CA12CA1CA2CA9MMP13 | |
| SCHEMBL5020942 | 0.62 | CA12 (0.36) | CA12CA1CA2CA9MMP13 |
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-115867549-A | 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis | 百时美施贵宝公司 | 2023-03-28 | — | — | CN | disclosed |