Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2173551 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL15131361 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL15131400 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL7859358 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL17234569 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL2024987 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7526029 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7526024 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL15131393 | 0.76 | LMNA (0.41) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL6219184 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111434662-B | Haloallylamine compound and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-01-10 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |
| CN-111434662-A | Haloallylamine compound and application thereof | 南京药捷安康生物科技有限公司 | 2020-07-21 | — | — | CN | disclosed |