Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | ROR1 | Q01973 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23043281 | 0.82 | HTR1A (0.32) | MCHR1HTR1AROR1 | |
| SCHEMBL29680450 | 0.82 | HTR1A (0.32) | MCHR1HTR1AROR1 | |
| SCHEMBL30033055 | 0.73 | — | — | |
| SCHEMBL29233776 | 0.72 | FFAR1 (0.38) | — | |
| SCHEMBL23043192 | 0.72 | TAAR1 (0.32) | TAAR1 | |
| SCHEMBL31108404 | 0.71 | NR3C1 (0.33) | ROR1 | |
| SCHEMBL26604856 | 0.70 | TAAR1 (0.36) | TAAR1 | |
| SCHEMBL2171833 | 0.70 | EGFR (0.43) | MCHR1KDM4EALDH1A1EGFRKDR | |
| SCHEMBL19616678 | 0.70 | KDM4E (0.36) | KDM4EALDH1A1EGFRKDR | |
| SCHEMBL29887030 | 0.70 | KDM4E (0.36) | KDM4EALDH1A1EGFRKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116057059-B | Deuterated compounds useful as KRAS G12D inhibitors | 南京燧坤智能科技有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-116057059-A | Deuterated compounds useful as KRAS G12D inhibitors | 南京燧坤智能科技有限公司 | 2023-05-02 | — | — | CN | disclosed |
| WO-2023284881-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS KRAS G12D INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-01-19 | — | — | WO | disclosed |
| WO-2022262838-A1 | DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2022-12-22 | — | — | WO | disclosed |