Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29499005 | 0.87 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL29498996 | 0.81 | ATM (0.41) | NPC1RAB9AKMT2AMAPK1ALDH1A1 | |
| SCHEMBL6314177 | 0.79 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL9952997 | 0.78 | ALDH1A1 (0.55) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL6307822 | 0.78 | ATM (0.57) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL6796438 | 0.78 | PLK1 (0.48) | NPC1LMNAMAPTKMT2AMEN1 | |
| SCHEMBL6308967 | 0.77 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL6794947 | 0.75 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL6794948 | 0.75 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL6306940 | 0.74 | HSD17B10 (0.55) | NPC1RAB9ASMN1; SMN2LMNAMAPT |
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 |