Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12425624 | 0.82 | CYP2D6 (0.50) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 | |
| SCHEMBL21165837 | 0.79 | CYP2D6 (0.41) | ALDH1A1KMT2AHSD17B10MTNR1AMTNR1B | |
| SCHEMBL15199103 | 0.75 | POLB (0.46) | ALDH1A1KMT2AEPHX2PSMB5MTNR1A | |
| SCHEMBL16727369 | 0.75 | POLB (0.46) | ALDH1A1KMT2AEPHX2PSMB5MTNR1A | |
| SCHEMBL19083853 | 0.75 | POLB (0.46) | ALDH1A1KMT2AEPHX2PSMB5MTNR1A | |
| SCHEMBL1768109 | 0.75 | EPHX1 (0.50) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 | |
| SCHEMBL26763896 | 0.75 | SMN1; SMN2 (0.55) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 | |
| SCHEMBL24474359 | 0.74 | ROCK2 (0.46) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 | |
| SCHEMBL17787637 | 0.74 | EPHX1 (0.42) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 | |
| SCHEMBL23729169 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KMT2AEPHX2HSD17B10PSMB5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023284881-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS KRAS G12D INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-01-19 | — | — | WO | disclosed |