Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28793541 | 0.80 | ALDH1A1 (0.42) | RAB9ANPC1ALDH1A1NFKB1NFKB2 | |
| SCHEMBL949750 | 0.80 | ALDH1A1 (0.64) | ALDH1A1HPGDKMT2ALMNAGAA | |
| SCHEMBL31598658 | 0.80 | ALDH1A1 (0.64) | ALDH1A1HPGDKMT2ALMNAGAA | |
| SCHEMBL29105405 | 0.79 | ALDH1A1 (0.67) | RAB9ANPC1ALDH1A1NFKB1NFKB2 | |
| SCHEMBL28904581 | 0.79 | KMT2A (0.46) | RAB9ANPC1ALDH1A1NFKB1NFKB2 | |
| SCHEMBL826357 | 0.77 | MKNK1 (0.58) | ALDH1A1MEN1KMT2AMAPTGAA | |
| Nitrous Acid SCHEMBL28552198 | 0.76 | KDM4C (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL1213901 | 0.76 | CASP1 (0.52) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| Methylene Chloride SCHEMBL27824081 | 0.76 | ALDH1A1 (0.58) | ALDH1A1HPGDKMT2ALMNAGAA | |
| SCHEMBL28928124 | 0.76 | CYP3A4 (0.37) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117069063-A | Sodium hydride suspension and application thereof in flow chemical reaction | 武汉药明康德新药开发有限公司 | 2023-11-17 | — | — | CN | claimed |
| CN-117069063-A | Sodium hydride suspension and application thereof in flow chemical reaction | 武汉药明康德新药开发有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-112533598-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-03-19 | — | — | CN | disclosed |