Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13828053 | 0.77 | GAA (0.54) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL15047148 | 0.77 | GAA (0.54) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL12527472 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL12525246 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL20204206 | 0.70 | TACR1 (0.74) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL18167908 | 0.70 | TACR1 (0.74) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL14858632 | 0.70 | TACR1 (0.56) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL14762858 | 0.70 | TACR1 (0.56) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| SCHEMBL14762860 | 0.70 | TACR1 (0.56) | ALDH1A1GAAL3MBTL1TACR1HPGD | |
| Trifluoroacetic Acid SCHEMBL14763161 | 0.69 | TACR1 (0.52) | ALDH1A1GAAL3MBTL1TACR1HPGD |
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-3501546-A2 | CYSTEINE DRUG CONJUGATES AND USE OF SAME | Seattle Genetics, Inc. (US) | 2019-06-26 | — | — | EP | disclosed |