Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21101971 | 0.94 | HDAC1 (0.43) | ALDH1A1MAPK1POLBL3MBTL1HPGD | |
| SCHEMBL21102245 | 0.84 | ALDH1A1 (0.46) | ALDH1A1RAB9AKMT2AHDAC3HDAC1 | |
| SCHEMBL21101981 | 0.82 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1HPGDKMT2AHDAC3 | |
| SCHEMBL21103001 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPK1POLBHPGDNPC1 | |
| SCHEMBL21102159 | 0.81 | HPGD (0.49) | ALDH1A1MAPK1L3MBTL1HPGDNPC1 | |
| SCHEMBL5168941 | 0.79 | ACHE (0.46) | ALDH1A1MAPK1POLBNPC1RAB9A | |
| SCHEMBL31304722 | 0.78 | HDAC1 (0.47) | ALDH1A1MAPK1POLBL3MBTL1HPGD | |
| SCHEMBL21102257 | 0.78 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1HPGDHDAC3 | |
| SCHEMBL21101973 | 0.77 | HDAC1 (0.43) | ALDH1A1POLBKMT2ACYP1A2CYP3A4 | |
| SCHEMBL21102215 | 0.77 | HDAC1 (0.45) | ALDH1A1MAPK1RAB9AKMT2AHDAC3 |
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-2046736-B1 | ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2019-06-12 | — | — | EP | disclosed |