Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19863279 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL17225262 | 0.77 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| E1501 SCHEMBL28201296 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| E1501 SCHEMBL14031569 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| E1501 SCHEMBL901210 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| E1501 SCHEMBL43745 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL30001820 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL37382 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL78553 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL27144 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3613755-A1 | LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE | Novartis AG (CH) | 2020-02-26 | — | — | EP | disclosed |