Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29221823 | 0.92 | HDAC4 (0.46) | TAS1R3TAS1R1ADAM17MMP1ALDH1A1 | |
| SCHEMBL29222192 | 0.81 | HDAC1 (0.56) | MMP1TSHRHSD17B10HDAC1HDAC4 | |
| SCHEMBL29221831 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MEN1KMT2ARAB9A | |
| SCHEMBL29221825 | 0.73 | NPC1 (0.46) | TAS1R3TAS1R1ADAM17MMP1ALDH1A1 | |
| SCHEMBL3429202 | 0.71 | HDAC1 (0.57) | ALDH1A1CYP1A2CYP3A4TSHRHSD17B10 | |
| SCHEMBL29221854 | 0.71 | HDAC1 (0.48) | TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13338207 | 0.71 | NPC1 (0.62) | ALDH1A1CYP1A2CYP3A4TSHRHSD17B10 | |
| SCHEMBL257596 | 0.71 | NPC1 (0.65) | ALDH1A1CYP1A2CYP3A4TSHRHSD17B10 | |
| SCHEMBL13159716 | 0.71 | HDAC1 (0.74) | ALDH1A1HDAC1HDAC4NPC1POLB | |
| SCHEMBL5347737 | 0.70 | PPARG (0.54) | HDAC1HDAC4NPC1POLBMEN1 |
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-117886748-A | Quinoline amino acid conjugate and preparation method and application thereof | 天津科技大学 | 2024-04-16 | — | — | CN | disclosed |