Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.64 |
| ▸ | RAB9A | P51151 | 7/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29499010 | 0.87 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL6306940 | 0.80 | HSD17B10 (0.55) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL29498996 | 0.76 | ATM (0.41) | NPC1RAB9AATMPOLBHTT | |
| SCHEMBL6308557 | 0.76 | NPSR1 (0.52) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL5877496 | 0.73 | TSHR (0.48) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL29147374 | 0.71 | MMP13 (0.64) | TSHRKDM4ELMNAMAPT | |
| SCHEMBL6314177 | 0.70 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL6308967 | 0.70 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL6094064 | 0.70 | KMT2A (0.70) | RAB9ATSHRKDM4ELMNAPOLB | |
| SCHEMBL8576951 | 0.69 | ADORA3 (0.61) | POLBMAPK1NPSR1BLMCTDSP1 |
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-111518039-B | Preparation method of nonmetal-promoted 2-alkyl heteroarene compound | 西安交通大学 | 2022-05-06 | — | — | CN | disclosed |