Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.44 |
| ▸ | MEN1 | O00255 | 10/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.44 |
| ▸ | RAB9A | P51151 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512470 | 1.00 | NPC1 (0.44) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL9370410 | 0.77 | NPC1 (0.47) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL11536024 | 0.76 | NPC1 (0.57) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL14032377 | 0.76 | ACHE (0.51) | MEN1KMT2AALDH1A1MAPTL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL9514045 | 0.75 | NPC1 (0.44) | NPC1MEN1KMT2ARAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL5117534 | 0.74 | ACHE (0.50) | MEN1KMT2AALDH1A1MAPTL3MBTL1 | |
| SCHEMBL10431155 | 0.71 | PGK1 (0.40) | ALDH1A1HTTNFKB1BLMPMP22 | |
| SCHEMBL23092069 | 0.69 | SLC6A4 (0.70) | ALDH1A1MAPTPKMSLC6A4KDM4E | |
| SCHEMBL13075502 | 0.68 | SLC6A4 (0.42) | NFKB1BLMPMP22SLC6A4 | |
| SCHEMBL3465093 | 0.68 | HTR2A (0.44) | ALDH1A1NFKB1SLC6A4GAA |
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-0363964-B1 | Benzotriazole derivatives and chiral derivatization reagents for carboxylic acids thereof | SHIONOGI & CO (JP) | 1993-12-29 | — | — | EP | claimed |