Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL29113833 | 0.94 | NPC1 (0.39) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29113822 | 0.92 | NPC1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL29113821 | 0.90 | NPC1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL29113811 | 0.87 | NPC1 (0.39) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28539828 | 0.87 | ALDH1A1 (0.33) | RAB9AALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL29113814 | 0.85 | NPC1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL28911027 | 0.82 | CXCR4 (0.45) | NPC1RAB9AALDH1A1MAPTKMT2A | |
| SCHEMBL29113828 | 0.81 | CXCR4 (0.44) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL29113844 | 0.81 | ALDH1A1 (0.33) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28538370 | 0.80 | MAPT (0.48) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 |
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 |