Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL15893874 | 0.80 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2TDP1HSD17B10 | |
| Hydrochloric Acid SCHEMBL27518762 | 0.79 | ALDH1A1 (0.40) | ALDH1A1LMNASMN1; SMN2TDP1HSD17B10 | |
| SCHEMBL94937 | 0.76 | ALDH1A1 (1.00) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| SCHEMBL29992706 | 0.76 | ALDH1A1 (1.00) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| SCHEMBL969167 | 0.75 | ALDH1A1 (0.66) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| Bromide SCHEMBL11833484 | 0.74 | ALDH1A1 (0.96) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| Hydrochloric Acid SCHEMBL11081862 | 0.74 | ALDH1A1 (0.96) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| SCHEMBL21100004 | 0.74 | HSD17B10 (0.64) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| Hydrochloric Acid SCHEMBL28787382 | 0.73 | ALDH1A1 (0.63) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A | |
| SCHEMBL28878448 | 0.73 | ALDH1A1 (0.62) | ALDH1A1LMNASMN1; SMN2PDPK1PDE10A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022148422-A1 | BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022095960-A1 | KRAS INHIBITORS FOR TREATMENT OF CANCERS | 泰励生物科技（上海）有限公司 | 2022-05-12 | — | — | WO | disclosed |
| WO-2021218110-A1 | BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE | 上海凌达生物医药有限公司 | 2021-11-04 | — | — | WO | disclosed |