Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31188778 | 0.92 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL28040068 | 0.83 | CES1 (0.33) | CES1 | |
| Trifluoroacetic Acid SCHEMBL28608906 | 0.83 | ALDH1A1 (0.38) | CES1 | |
| Cyclooctene SCHEMBL29059019 | 0.80 | CA1 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL27779029 | 0.80 | ALDH1A1 (0.36) | CES1 | |
| Bicarbonate SCHEMBL4050127 | 0.80 | CA1 (0.36) | — | |
| Cyclohexene SCHEMBL2128923 | 0.76 | CA1 (0.39) | — | |
| Cyclohexene SCHEMBL166014 | 0.76 | CA1 (0.39) | — | |
| Hydrogen Peroxide SCHEMBL28692176 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL31550881 | 0.75 | PKM (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648707-A1 | HYDROXYLATED TRICYCLIC COMPOUNDS | Nektar Therapeutics (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012079017-A1 | HYDROXYLATED TRICYCLIC COMPOUNDS | NEKTAR THERAPEUTICS (US) | 2012-06-14 | — | — | WO | disclosed |