Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.31 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.31 |
| ▸ | SDHB | P21912 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513385 | 0.84 | TDP1 (0.43) | ALDH1A1TDP1MAPTMEN1KMT2A | |
| SCHEMBL29603089 | 0.81 | NOTUM (0.50) | GPBAR1HIF1AALDH1A1TDP1NOTUM | |
| SCHEMBL20186698 | 0.81 | NOTUM (0.50) | GPBAR1HIF1AALDH1A1TDP1NOTUM | |
| SCHEMBL18050067 | 0.79 | GPBAR1 (0.41) | GPBAR1HIF1AALDH1A1SMARCA2SMARCA4 | |
| SCHEMBL6122289 | 0.79 | GPBAR1 (0.40) | GPBAR1HIF1AALDH1A1NOTUMMAPT | |
| Nitrous Acid SCHEMBL28567917 | 0.78 | GPBAR1 (0.39) | GPBAR1HIF1AMAPTMEN1KMT2A | |
| SCHEMBL6121134 | 0.78 | ATF1 (0.47) | GPBAR1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL25436490 | 0.77 | PDK1 (0.41) | TDP1CYP1A2CYP2D6 | |
| SCHEMBL31443000 | 0.77 | TPMT (0.42) | GPBAR1HIF1AMAPTMEN1KMT2A | |
| SCHEMBL3243480 | 0.77 | TPMT (0.42) | GPBAR1HIF1AMAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116745278-A | Enzyme inhibitors | 卡尔维斯塔制药有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-109983006-B | Crystalline forms of lysyl oxidase-like 2 inhibitors and methods of making the same | 法玛克亚公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-107592861-B | Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof | 法玛克亚公司 | 2021-06-08 | — | — | CN | disclosed |