Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CKS1B | P61024 | 2/20 | 0.38 |
| ▸ | SKP1 | P63208 | 2/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23389963 | 1.00 | GRM5 (0.42) | GRM5CYP1A2TACR3CYP2C19NR1H2 | |
| SCHEMBL28785438 | 0.85 | TACR3 (0.47) | GRM5CYP1A2TACR3CYP2C19P2RX7 | |
| SCHEMBL17298976 | 0.79 | KCNH2 (0.51) | NR1H2CKS1BSKP1SKP2TGFBR1 | |
| SCHEMBL29796687 | 0.78 | GRM5 (0.42) | GRM5CKS1BSKP1SKP2MAPK1 | |
| SCHEMBL23389905 | 0.78 | GRM5 (0.42) | GRM5CKS1BSKP1SKP2MAPK1 | |
| SCHEMBL23390025 | 0.78 | GRM5 (0.44) | GRM5CYP1A2TACR3CYP2C19NR1H2 | |
| SCHEMBL29796413 | 0.78 | GRM5 (0.44) | GRM5CYP1A2TACR3CYP2C19NR1H2 | |
| SCHEMBL23389957 | 0.72 | GRM5 (0.67) | GRM5NR1H2 | |
| SCHEMBL29796602 | 0.72 | GRM5 (0.67) | GRM5NR1H2 | |
| SCHEMBL20157288 | 0.72 | GRM5 (0.47) | GRM5CYP1A2CKS1BSKP1SKP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4061809-A1 | SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS | Theravance Biopharma R&D IP, LLC (US) | 2022-09-28 | — | — | EP | disclosed |
| CN-114728941-A | Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors | 施万生物制药研发IP有限责任公司 | 2022-07-08 | — | — | CN | disclosed |