Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2344277 | 0.80 | ALDH1A1 (0.53) | ALDH1A1NOTUMSMN1; SMN2MEN1KMT2A | |
| SCHEMBL1437753 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX12NOTUMSMN1; SMN2MEN1 | |
| SCHEMBL29933410 | 0.77 | ALDH1A1 (0.60) | ALDH1A1ALOX12NOTUMSMN1; SMN2MEN1 | |
| SCHEMBL2361734 | 0.77 | NOTUM (0.53) | ALDH1A1NOTUMSMN1; SMN2MEN1KMT2A | |
| SCHEMBL30395562 | 0.75 | NOTUM (0.51) | NOTUMSMN1; SMN2KMT2ATSHRNPC1 | |
| SCHEMBL2362220 | 0.75 | NOTUM (0.51) | NOTUMSMN1; SMN2KMT2ATSHRNPC1 | |
| SCHEMBL5636013 | 0.74 | NOTUM (0.46) | ALDH1A1ALOX12BCHENOTUMSMN1; SMN2 | |
| SCHEMBL6502052 | 0.72 | ALDH1A1 (0.37) | ALDH1A1ALOX12BCHENOTUMMEN1 | |
| SCHEMBL6501844 | 0.72 | ALDH1A1 (0.37) | ALDH1A1ALOX12BCHENOTUMSMN1; SMN2 | |
| SCHEMBL7730094 | 0.72 | NOTUM (0.55) | ALDH1A1NOTUMKMT2A |
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-108026030-B | Preparation method of deuterated compound | 正大天晴药业集团股份有限公司 | 2020-10-09 | — | — | CN | disclosed |
| WO-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |