Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | REN | P00797 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL24767641 | 0.82 | SHBG (0.35) | SHBGCYP1A2ACHERENEPHX1 | |
| SCHEMBL12251524 | 0.78 | ADH1B (0.33) | CYP1A2CA12CA7CA14ACHE | |
| SCHEMBL6260891 | 0.77 | LPAR5 (0.33) | — | |
| SCHEMBL18624724 | 0.76 | ADH1B (0.30) | CYP1A2ACHE | |
| SCHEMBL24767638 | 0.75 | ADH1B (0.31) | CYP1A2ACHE | |
| SCHEMBL14378258 | 0.73 | CYP1A2 (0.41) | SHBGCYP1A2JAK2JAK1TYK2 | |
| SCHEMBL4317449 | 0.73 | CYP1A2 (0.41) | SHBGCYP1A2CA1CA12CA7 | |
| SCHEMBL23584192 | 0.72 | — | — | |
| SCHEMBL26144784 | 0.71 | ACHE (0.33) | ACHE | |
| SCHEMBL25446788 | 0.71 | CYP1A2 (0.52) | SHBGCYP1A2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023161317-A1 | 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS | LES LABORATOIRES SERVIER (FR) | 2023-08-31 | — | — | WO | disclosed |