Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.51 |
| ▸ | RAB9A | P51151 | 10/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12730477 | 1.00 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL12730487 | 0.86 | HDAC1 (0.42) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL21815126 | 0.83 | LMNA (0.60) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL27889368 | 0.83 | FGFR1 (0.47) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL29110075 | 0.81 | FGFR1 (0.46) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL29463864 | 0.80 | FGFR1 (0.45) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL18638552 | 0.80 | FGFR1 (0.45) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL10600757 | 0.80 | NPC1 (0.62) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL3437990 | 0.79 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL12888666 | 0.79 | NPC1 (0.67) | NPC1RAB9AKMT2AMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117813306-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物研发有限公司 | 2024-04-02 | — | — | CN | disclosed |