Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4098463 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL27565478 | 0.88 | CA2 (0.42) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL16961564 | 0.83 | SLC6A4 (0.37) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL29673143 | 0.83 | SLC6A4 (0.37) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL30303054 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL697564 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL18263307 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL1570497 | 0.79 | TAAR1 (0.52) | KMT2AALOX15HSD17B10CRHBPCRHR2 | |
| SCHEMBL3121724 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL10122957 | 0.79 | CYP2C19 (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119255981-A | Nitrogen-containing heterocyclic compound and use thereof | BNH研究有限责任公司 | 2025-01-03 | — | — | CN | disclosed |
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |