Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31050852 | 1.00 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL1779676 | 0.87 | HDAC1 (0.59) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL13626443 | 0.77 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL15503805 | 0.77 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL24181946 | 0.74 | PTPN11 (0.51) | — | |
| SCHEMBL3118143 | 0.73 | ALDH1A1 (0.48) | SMN1; SMN2HPGDLMNAMEN1KMT2A | |
| SCHEMBL26849762 | 0.73 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL1779536 | 0.72 | RAB9A (0.66) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL4094232 | 0.72 | HDAC1 (0.72) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL2831032 | 0.71 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115960109-B | Preparation and application of condensed ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115960109-A | Preparation and application of fused-ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2023-04-14 | — | — | CN | disclosed |