Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13638887 | 0.95 | S1PR1 (0.47) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13634595 | 0.89 | S1PR1 (0.49) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13270598 | 0.88 | S1PR1 (0.41) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13638884 | 0.85 | S1PR1 (0.47) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13634748 | 0.85 | S1PR1 (0.36) | S1PR1IRAK4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13634771 | 0.84 | S1PR1 (0.49) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13162061 | 0.80 | S1PR1 (0.35) | S1PR1IRAK4MEN1ALDH1A1CYP1A2 | |
| SCHEMBL13634780 | 0.80 | S1PR1 (0.48) | S1PR1HDAC8HDAC6HDAC1ENPP2 | |
| SCHEMBL13634788 | 0.80 | S1PR1 (0.48) | S1PR1HDAC8HDAC6HDAC1DRD2 | |
| SCHEMBL13638928 | 0.80 | S1PR1 (0.48) | S1PR1HDAC8HDAC6HDAC1DRD2 |
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-8304547-B2 | Azolecarboxamide compound or salt thereof | ASTELLAS PHARMA INC. (JP) | 2012-11-06 | — | — | US | disclosed |