Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5450147 | 0.87 | GABRA1 (0.53) | GABRA1GABRB2AKR1B1MEN1KMT2A | |
| SCHEMBL29953243 | 0.77 | IDO1 (0.36) | MEN1KMT2AALDH1A1 | |
| SCHEMBL16687397 | 0.77 | IDO1 (0.36) | MEN1KMT2AALDH1A1 | |
| SCHEMBL2036455 | 0.76 | GABRA1 (0.66) | GABRA1GABRB2AKR1B1MEN1KMT2A | |
| SCHEMBL9938608 | 0.76 | TAAR1 (0.42) | — | |
| SCHEMBL5433953 | 0.75 | GABRA1 (0.48) | GABRA1GABRB2AKR1B1MEN1KMT2A | |
| SCHEMBL28289966 | 0.75 | GABRA1 (0.50) | GABRA1GABRB2AKR1B1MEN1KMT2A | |
| SCHEMBL248425 | 0.74 | TAAR1 (0.48) | GABRA1GABRB2MEN1KMT2AMAPT | |
| SCHEMBL24474343 | 0.74 | TAAR1 (0.36) | LMNA | |
| SCHEMBL146988 | 0.73 | CES2 (0.42) | ERN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021147965-A1 | MACROCYCLIC COMPOUND SERVING AS KRAS INHIBITOR | 南京明德新药研发有限公司 | 2021-07-29 | — | — | WO | disclosed |
| WO-2021147967-A1 | MACROCYCLIC COMPOUND SERVING AS KRAS INHIBITOR | 南京明德新药研发有限公司 | 2021-07-29 | — | — | WO | disclosed |