Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL603156 | 0.87 | ALOX15 (0.53) | HDAC1HDAC6ALOX15PDK2KDM4E | |
| SCHEMBL532190 | 0.84 | CES2 (0.53) | HDAC1HDAC6PDK2HDAC3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27687311 | 0.83 | ALOX15 (0.56) | HDAC1HDAC6ALOX15PDK2KDM4E | |
| Hydrochloric Acid SCHEMBL2952907 | 0.83 | ALOX15 (0.56) | HDAC1HDAC6ALOX15PDK2KDM4E | |
| SCHEMBL18642563 | 0.82 | HDAC1 (0.73) | HDAC1HDAC6CTSLCTSSCTSK | |
| SCHEMBL15631040 | 0.82 | HDAC1 (0.63) | HDAC1HDAC6CTSLCTSSCTSK | |
| SCHEMBL15630979 | 0.82 | HDAC1 (0.63) | HDAC1HDAC6CTSLCTSSCTSK | |
| SCHEMBL15610485 | 0.82 | HDAC1 (0.63) | HDAC1HDAC6CTSLCTSSCTSK | |
| SCHEMBL3112864 | 0.81 | ALOX15 (0.51) | HDAC1HDAC6ALOX15PDK2KDM4E | |
| SCHEMBL23417941 | 0.81 | ESRRG (0.57) | HDAC1HDAC6ALOX15PDK2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010542-B1 | 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | VERTEX PHARMA (US) | 2012-01-25 | — | — | EP | disclosed |
| WO-2011038185-A2 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | WO | disclosed |
| WO-2007120752-A2 | 4, 5-DIHYDRO- [1, 2, 4] TRIAZOLO [4, 3-F] PTERIDINES AS PROTEIN KINASE PLK1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-25 | — | — | WO | disclosed |