Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17179760 | 0.85 | MCL1 (0.61) | KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30608265 | 0.82 | NPC1 (0.61) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL28209634 | 0.81 | NPC1 (0.64) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL31384138 | 0.80 | MCL1 (0.71) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL8841211 | 0.80 | NPC1 (0.59) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL15714086 | 0.78 | HIF1A (0.58) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL30608270 | 0.78 | NPC1 (0.66) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL10515685 | 0.77 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL716903 | 0.77 | RAB9A (0.74) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL10514760 | 0.76 | NPC1 (0.55) | NPC1RAB9AKMT2AMEN1ALDH1A1 |
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-116874452-B | Synthesis method for synthesizing 3-methylbenzofuran structural compound by taking calcium carbide as alkynyl source | 宁夏大学 | 2025-04-01 | — | — | CN | disclosed |
| CN-116874452-A | Synthesis method for synthesizing 2-methylbenzofuran structural compound by taking calcium carbide as alkynyl source | 宁夏大学 | 2023-10-13 | — | — | CN | disclosed |