Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536922 | 0.86 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2LMNACYP1A2 | |
| SCHEMBL29450344 | 0.83 | CYP2C19 (0.45) | NPC1RAB9ASMN1; SMN2LMNACYP1A2 | |
| SCHEMBL30541778 | 0.83 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2LMNACYP1A2 | |
| SCHEMBL29113836 | 0.81 | TPSAB1 (0.43) | NPC1RAB9ASMN1; SMN2LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL29113808 | 0.80 | MEN1 (0.45) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28539403 | 0.79 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2LMNAMEN1 | |
| SCHEMBL31612277 | 0.78 | ALDH1A1 (0.51) | SMN1; SMN2CYP1A2MAPTPDK1ALDH1A1 | |
| SCHEMBL1589851 | 0.78 | ALDH1A1 (0.51) | SMN1; SMN2CYP1A2MAPTPDK1ALDH1A1 | |
| SCHEMBL28530178 | 0.78 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2LMNACYP1A2 | |
| SCHEMBL28538370 | 0.78 | MAPT (0.48) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 |
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-112574089-B | Photo-induced multifunctional crosslinking agent, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-112574089-A | Photoinduced multifunctional cross-linking agent, and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |