Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL40368 | 0.74 | CYP2C9 (0.55) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL798619 | 0.74 | MAOA (0.48) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL29413779 | 0.73 | MAOA (0.58) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL88261 | 0.73 | MAOA (0.58) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL668166 | 0.72 | CYP2C9 (0.49) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL19458502 | 0.72 | MAOA (0.64) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL977602 | 0.71 | MAOA (0.41) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL29385926 | 0.71 | CYP2C9 (0.56) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL8516771 | 0.71 | MAOA (0.50) | MAOAMAOBNISCHCYP2C9ATM | |
| SCHEMBL30552229 | 0.71 | CYP2C9 (0.52) | MAOAMAOBNISCHCYP2C9ATM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8766242-B2 | Aromatic chalcogen compounds and their use | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-07-01 | — | — | US | disclosed |
| US-20120068166-A1 | AROMATIC CHALCOGEN COMPOUNDS AND THEIR USE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-22 | — | — | US | disclosed |
| US-8089064-B2 | Aromatic chalcogen compounds and their use | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-01-03 | — | — | US | disclosed |
| US-20090121627-A1 | AROMATIC CHALCOGEN COMPOUNDS AND THEIR USE | E. I. DU PONT DE NEMOURS AND COMPANY | 2009-05-14 | — | — | US | disclosed |
| US-7504769-B2 | Aromatic chalcogen compounds and their use | E. I. DU PONT DE NEMOURS + COMPANY (US) | 2009-03-17 | — | — | US | disclosed |