Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | CHAT | P28329 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL12405326 | 0.87 | CACNA2D1 (0.35) | GRM5CHATCACNA2D1CACNB2CACNA1C | |
| SCHEMBL28433044 | 0.83 | GRM5 (0.33) | GRM5CHATALDH1A1CACNA2D1CACNB2 | |
| SCHEMBL30259973 | 0.82 | CYP1A2 (0.35) | GRM5CHATCYP2A6CYP1A2 | |
| SCHEMBL31491217 | 0.82 | PLAU (0.44) | GRM5CHATALDH1A1MAPTHTT | |
| SCHEMBL25410554 | 0.82 | ESR1 (0.38) | GRM5CACNA2D1CACNB2CACNA1CMEN1 | |
| SCHEMBL4586339 | 0.82 | CACNA2D1 (0.36) | ALDH1A1CACNA2D1CACNB2CACNA1CCYP1A2 | |
| Hydrochloric Acid SCHEMBL30157118 | 0.81 | ESR1 (0.38) | GRM5CACNA2D1CACNB2CACNA1CCYP1A2 | |
| SCHEMBL5012545 | 0.79 | GRM5 (0.49) | GRM5CHATACACBCA1CA2 | |
| SCHEMBL20044978 | 0.79 | HSD17B10 (0.38) | ALDH1A1CYP2A6CACNA2D1CACNB2CACNA1C | |
| SCHEMBL5610827 | 0.79 | GRM5 (0.30) | GRM5CACNA2D1CACNB2CACNA1C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024178304-A1 | KRAS MODULATORS | ALTEROME THERAPEUTICS, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| CN-117677624-A | Novel pyridopyrimidine derivatives | 上海艾力斯医药科技股份有限公司 | 2024-03-08 | — | — | CN | disclosed |
| WO-2024012519-A1 | PAN-KRAS INHIBITOR | 北京华森英诺生物科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| WO-2023098425-A1 | KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海和誉生物医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |