Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29187791 | 0.89 | ALDH1A1 (0.40) | HPGDSLC22A12NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28203390 | 0.89 | ALDH1A1 (0.40) | HPGDSLC22A12NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22302407 | 0.86 | THRB (0.38) | HPGDPIK3CATHRBMAPK1KDM4E | |
| SCHEMBL24034328 | 0.81 | THRB (0.43) | HPGDPIK3CANPC1USP2RAB9A | |
| SCHEMBL23901946 | 0.76 | TSHR (0.41) | HPGDPIK3CANPC1USP2RAB9A | |
| SCHEMBL18319891 | 0.75 | KMT2A (0.39) | HPGDNPC1USP2RAB9ATHRB | |
| SCHEMBL28408913 | 0.75 | ALDH1A1 (0.47) | HPGDSLC22A12SMN1; SMN2MAPK1KDM4E | |
| SCHEMBL23901922 | 0.74 | THRB (0.38) | HPGDPIK3CANPC1USP2RAB9A | |
| SCHEMBL22493634 | 0.72 | PTPN11 (0.37) | — | |
| SCHEMBL24983166 | 0.70 | LRRK2 (0.49) | PIK3CAMAPK1KDM4EL3MBTL1ALDH1A1 |
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-115052866-B | Crystal form of nitrogen-containing heteroaromatic derivative free alkali | 上海翰森生物医药科技有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115353509-B | Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |