Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.55 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29099854 | 1.00 | MEN1 (0.58) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL6979591 | 0.86 | NPC1 (0.67) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL30544196 | 0.86 | MAPT (0.61) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL29099873 | 0.86 | MAPT (0.61) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL29099852 | 0.86 | MAPT (0.61) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL29099850 | 0.86 | NOTUM (0.58) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL30544168 | 0.86 | MAPT (0.61) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL29099856 | 0.83 | HDAC3 (0.60) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL30544181 | 0.83 | HDAC3 (0.60) | MEN1KMT2AALDH1A1NPC1POLB | |
| SCHEMBL13491525 | 0.83 | NPC1 (0.60) | MEN1KMT2ANPC1POLBMAPT |
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-116715634-A | Compound, pharmaceutical composition and application thereof in preparation of vasodilation drugs | 山东第一医科大学(山东省医学科学院) | 2023-09-08 | — | — | CN | disclosed |