Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 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 | |
|---|---|---|---|---|
| SCHEMBL28705169 | 0.76 | NOTUM (0.53) | ALDH1A1MAPTGAATSHRMEN1 | |
| SCHEMBL28710514 | 0.75 | HPGDS (0.55) | HSD17B10ALDH1A1GAATSHRKMT2A | |
| SCHEMBL28706154 | 0.69 | NPSR1 (0.42) | HSD17B10GAATSHRNOTUMPKM | |
| SCHEMBL23727101 | 0.66 | HSD17B10 (0.39) | HSD17B10ALDH1A1MAPTGAAATM | |
| SCHEMBL23727102 | 0.66 | HSD17B10 (0.39) | HSD17B10ALDH1A1MAPTGAAATM | |
| SCHEMBL28935825 | 0.65 | CYP11B1 (0.54) | ALDH1A1MAPTCYP3A4 | |
| SCHEMBL14204147 | 0.65 | NOTUM (0.43) | HSD17B10GAATSHRNOTUMCCR2 | |
| SCHEMBL28941631 | 0.64 | HPGDS (0.56) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL4780057 | 0.64 | CYP2C19 (0.60) | HSD17B10ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL418384 | 0.63 | RAB9A (0.57) | HSD17B10ALDH1A1GAATSHRMEN1 |
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-114230522-A | Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof | 四川大学 | 2022-03-25 | — | — | CN | disclosed |