Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30329619 | 0.99 | SMN1; SMN2 (0.43) | SMN1; SMN2HPGDAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL28425324 | 0.99 | SMN1; SMN2 (0.43) | SMN1; SMN2HPGDAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL23907279 | 0.83 | AKR1C3 (0.38) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1TSHR | |
| SCHEMBL29441571 | 0.71 | L3MBTL1 (0.39) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1TSHR | |
| SCHEMBL1534083 | 0.68 | MEN1 (0.54) | SMN1; SMN2HPGDALDH1A1L3MBTL1KMT2A | |
| SCHEMBL22323003 | 0.68 | ALDH1A1 (0.40) | SMN1; SMN2HPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL22323113 | 0.68 | KMT2A (0.36) | SMN1; SMN2HPGDALDH1A1TSHRL3MBTL1 | |
| SCHEMBL19736052 | 0.68 | ALDH1A1 (0.39) | SMN1; SMN2HPGDALDH1A1TSHRL3MBTL1 | |
| SCHEMBL20726604 | 0.67 | GABRA1 (0.48) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1MAPK1 | |
| SCHEMBL23918399 | 0.67 | SMN1; SMN2 (0.41) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020143763-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | 南京药捷安康生物科技有限公司 | 2020-07-16 | — | — | WO | disclosed |