Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | DDX3X | O00571 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19275814 | 1.00 | ALDH1A1 (0.47) | ALDH1A1DDX3XSMN1; SMN2PTGS1CYP17A1 | |
| SCHEMBL20057655 | 0.88 | CYP17A1 (0.39) | ALDH1A1CYP17A1CA1CA2HDAC1 | |
| SCHEMBL25835220 | 0.86 | PARP14 (0.47) | ALDH1A1CYP17A1HDAC1HDAC3HDAC2 | |
| SCHEMBL16355923 | 0.85 | MEN1 (0.44) | ALDH1A1MAPTRXFP1 | |
| SCHEMBL29803908 | 0.85 | MAP4K4 (0.40) | CYP17A1CA1CA2MAPTMAPK14 | |
| SCHEMBL3785113 | 0.84 | CTSK (0.41) | ALDH1A1CYP17A1CA1HDAC1HDAC4 | |
| SCHEMBL13785635 | 0.84 | CTSK (0.41) | ALDH1A1CYP17A1CA1HDAC1HDAC4 | |
| SCHEMBL3785111 | 0.84 | CTSK (0.41) | ALDH1A1CYP17A1CA1HDAC1HDAC4 | |
| SCHEMBL23455432 | 0.84 | RAB9A (0.50) | ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL23455430 | 0.84 | RAB9A (0.50) | ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016034642-A1 | ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | PIERRE FABRE MEDICAMENT (FR) | 2016-03-10 | — | — | WO | disclosed |