Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21767855 | 0.86 | NCOA1 (0.46) | NCOA1NCOA3ALDH1A1HPGDNPC1 | |
| SCHEMBL11195135 | 0.85 | ALDH1A1 (0.48) | MYCALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL30952437 | 0.84 | MGAT2 (0.44) | NCOA1NCOA3ALDH1A1KDM4EMEN1 | |
| SCHEMBL21361618 | 0.84 | MGAT2 (0.44) | NCOA1NCOA3ALDH1A1KDM4EMEN1 | |
| SCHEMBL15140927 | 0.80 | ALDH1A1 (0.42) | MYCALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL4012261 | 0.79 | SLC7A5 (0.43) | MYCALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6772949 | 0.79 | TDP1 (0.55) | ALDH1A1NPC1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL11196336 | 0.77 | GRIN2B (0.50) | ALDH1A1NPC1RAB9ARECQLKDM4E | |
| SCHEMBL11201490 | 0.76 | SIGMAR1 (0.42) | TP53 | |
| SCHEMBL21425203 | 0.75 | MAPK1 (0.41) | MYC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112262129-A | Triazacyclododecane sulfonamide (\"TCD\") based protein secretion inhibitors | 科智生命科学公司 | 2021-01-22 | — | — | CN | disclosed |