Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.82 |
| ▸ | PGR | P06401 | 6/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22445036 | 0.90 | NPC1 (1.00) | NPC1PGRSMN1; SMN2MAPTLMNA | |
| SCHEMBL14342029 | 0.85 | NPC1 (0.64) | NPC1PGRSMN1; SMN2MAPTLMNA | |
| SCHEMBL22453686 | 0.81 | NPC1 (0.67) | NPC1PGRSMN1; SMN2MAPTLMNA | |
| Acetanilide SCHEMBL29173779 | 0.80 | NPC1 (0.80) | NPC1PGRSMN1; SMN2MAPTLMNA | |
| SCHEMBL17344404 | 0.80 | PGR (0.82) | NPC1PGRSMN1; SMN2EPHX2ALDH1A1 | |
| SCHEMBL12302267 | 0.79 | NPC1 (0.69) | NPC1PGRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL22452967 | 0.78 | NPC1 (0.75) | NPC1PGRSMN1; SMN2MAPTEPHX2 | |
| SCHEMBL28014562 | 0.78 | NPC1 (0.58) | NPC1PGRSMN1; SMN2MAPTLMNA | |
| SCHEMBL29518270 | 0.77 | PGR (0.53) | NPC1PGRLMNAEPHX2MEN1 | |
| SCHEMBL29518743 | 0.76 | PGR (0.51) | NPC1PGRSMN1; SMN2LMNAPOLB |
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-111690135-B | Diamine monomer containing adamantane structure, polyimide film, preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2022-04-29 | — | — | CN | disclosed |
| CN-107673977-A | A kind of preparation method of the aromatic diamine containing adamantane structure | 上海博栋化学科技有限公司 | 2018-02-09 | — | — | CN | disclosed |