Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL989683 | 0.95 | CCR6 (0.45) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL8029844 | 0.94 | HTT (0.42) | CCR6PAX8ALDH1A1HDAC3NCOR2 | |
| SCHEMBL7242187 | 0.94 | HTT (0.42) | CCR6PAX8ALDH1A1HDAC3NCOR2 | |
| SCHEMBL7352897 | 0.93 | HTT (0.43) | CCR6PAX8ALDH1A1HDAC3MAPK1 | |
| SCHEMBL6661417 | 0.89 | CCR6 (0.41) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL7359299 | 0.89 | HTT (0.44) | CCR6PAX8ALDH1A1HDAC3MAPK1 | |
| SCHEMBL7355382 | 0.86 | HTT (0.43) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL7358565 | 0.84 | CCR6 (0.39) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL6827318 | 0.84 | CTSL (0.39) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9228435 | 0.81 | ALDH1A1 (0.41) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0765866-B1 | Preparation of optically active (S)-(-) and (R)-(+)- deoxyspergualin and novel intermediates thereof | BRISTOL MYERS SQUIBB CO (US) | 2000-12-06 | — | — | EP | disclosed |
| US-5869734-A | Preparation of optically active (S)-(-) and (R)-(+)-deoxyspergualin and novel intermediates thereof | BRISTOL-MYERS SQUIBB CO. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0765866-A2 | Preparation of optically active (S)-(-) and (R)-(+)- deoxyspergualin and novel intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-02 | — | — | EP | disclosed |