Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12200880 | 0.84 | CCR6 (0.54) | ATMCCR6PAX8CA12CA1 | |
| SCHEMBL16269680 | 0.83 | ATM (0.48) | ATMCCR6PAX8CA12CA1 | |
| SCHEMBL7206187 | 0.81 | HDAC3 (0.55) | ATMCCR6PAX8CA12CA1 | |
| SCHEMBL9188875 | 0.79 | CCR6 (0.66) | ATMCCR6PAX8CA12CA1 | |
| SCHEMBL4849285 | 0.76 | KMT2A (0.51) | ATMCCR6PAX8KMT2AKDM4E | |
| SCHEMBL7202865 | 0.76 | CCR6 (0.58) | ATMCCR6PAX8CA12CA1 | |
| SCHEMBL894822 | 0.75 | ATM (0.58) | ATMCA12CA1CA7CA14 | |
| SCHEMBL22605044 | 0.75 | ATM (0.58) | ATMCA12CA1CA7CA14 | |
| SCHEMBL7205254 | 0.75 | CCR6 (0.57) | ATMCCR6PAX8KDM4EGAA | |
| SCHEMBL7202274 | 0.74 | CCR6 (0.56) | ATMCCR6PAX8KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5786352-A | CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |