Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PYGB | P11216 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Niacinamide SCHEMBL19350213 | 0.85 | KMT2A (0.38) | CTSSCTSKKMT2ACA2ALDH1A1 | |
| SCHEMBL905289 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL3825684 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL12189206 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL1951088 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL627379 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL629960 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL16710011 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL3205842 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR | |
| SCHEMBL2159319 | 0.77 | CTSS (0.67) | CTSSCTSKKMT2ACA2TYR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3429354-A1 | B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF | Chromadex Inc. (US) | 2019-01-23 | — | — | EP | disclosed |
| WO-2017161165-A1 | B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF | ChromaDex Inc. (US) | 2017-09-21 | — | — | WO | disclosed |