Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16740896 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EGAACYP1A2 | |
| SCHEMBL12360750 | 0.74 | AHR (0.52) | ALDH1A1HSD17B10HPGDALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL16740892 | 0.73 | ALDH1A1 (0.96) | ALDH1A1HPGDKDM4EGAACYP1A2 | |
| SCHEMBL24756944 | 0.69 | CYP1A2 (0.42) | ALDH1A1HSD17B10HPGDALOX15KDM4E | |
| SCHEMBL3067032 | 0.67 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDALOX15KDM4E | |
| SCHEMBL29360084 | 0.64 | CYP1A2 (0.56) | ALDH1A1HSD17B10HPGDKDM4EGAA | |
| SCHEMBL119090 | 0.64 | CYP1A2 (0.56) | ALDH1A1HSD17B10HPGDKDM4EGAA | |
| SCHEMBL10772733 | 0.64 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HPGDKDM4EGAA | |
| Ammonia Solution, Strong SCHEMBL28178967 | 0.62 | CYP1A2 (0.54) | ALDH1A1HSD17B10HPGDKDM4EGAA | |
| Hydrochloric Acid SCHEMBL27879112 | 0.62 | CYP1A2 (0.54) | ALDH1A1HSD17B10HPGDKDM4EGAA |
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-2023018699-A1 | SELECTIVE KRAS INHIBITORS | ERASCA, INC. (US) | 2023-02-16 | — | — | WO | disclosed |
| WO-2022266206-A1 | KRAS INHIBITOR CONJUGATES | ERASCA, INC. (US) | 2022-12-22 | — | — | WO | disclosed |