Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820781 | 0.89 | MAPK1 (0.50) | HSD17B10MAPK1TSHRALDH1A1HPGD | |
| SCHEMBL7391494 | 0.86 | ACHE (0.38) | ALDH1A1HPGDKDM4EGAAHDAC3 | |
| SCHEMBL29019451 | 0.82 | RXFP1 (0.41) | ALDH1A1HPGDKDM4EGAAHDAC3 | |
| Water SCHEMBL3391735 | 0.82 | HSD17B10 (0.43) | HSD17B10MAPK1TSHRALDH1A1HPGD | |
| SCHEMBL28449499 | 0.82 | PKM (0.45) | HSD17B10MAPK1TSHRALDH1A1HPGD | |
| SCHEMBL5285423 | 0.82 | ACHE (0.49) | HSD17B10ALDH1A1KDM4EACHEPOLB | |
| SCHEMBL181377 | 0.81 | KMT2A (0.44) | ALDH1A1HDAC3HDAC1HDAC2POLB | |
| SCHEMBL29115405 | 0.81 | HSD17B10 (0.51) | HSD17B10MAPK1TSHRALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28097875 | 0.80 | KMT2A (0.44) | ALDH1A1HDAC3HDAC1HDAC2POLB | |
| SCHEMBL8374069 | 0.80 | KDM4E (0.46) | HSD17B10MAPK1TSHRALDH1A1HPGD |
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-113845485-B | Amino acid derivative and preparation method and application thereof | 湖南中医药大学 | 2023-03-14 | — | — | CN | disclosed |
| CN-114907261-A | 2-phenylamino quinoline derivative and preparation method and application thereof | 湖南中医药大学 | 2022-08-16 | — | — | CN | disclosed |