Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 5/20 | 0.50 |
| ▸ | SLC6A11 | P48066 | 5/20 | 0.50 |
| ▸ | SLC6A13 | Q9NSD5 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1925986 | 0.97 | SLC6A12 (0.52) | SLC6A12SLC6A11SLC6A13ALDH1A1CES2 | |
| SCHEMBL11051978 | 0.92 | SLC6A12 (0.52) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL2316031 | 0.87 | SLC6A12 (0.44) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL14401889 | 0.85 | SLC6A12 (0.46) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL3278947 | 0.85 | SLC6A12 (0.48) | SLC6A12SLC6A11SLC6A13ALDH1A1GABRR1 | |
| SCHEMBL9278180 | 0.85 | SLC6A12 (0.57) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL9764134 | 0.84 | SLC6A12 (0.41) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL23227518 | 0.82 | SLC6A12 (0.44) | SLC6A12SLC6A11SLC6A13ALDH1A1SLC6A1 | |
| SCHEMBL4112859 | 0.82 | CA1 (0.46) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 | |
| SCHEMBL4112861 | 0.82 | CA1 (0.46) | SLC6A12SLC6A11SLC6A13SLC6A1GABRA5 |
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-2022134773-A1 | MACROCYCLIC K-RAS G12C INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-06-30 | — | — | WO | disclosed |