Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL13166035 | 0.91 | TAS1R3 (0.47) | TAS1R3TAS1R1ALOX15ALOX12KDM4E | |
| SCHEMBL13166019 | 0.91 | TAS1R3 (0.47) | TAS1R3TAS1R1ALOX15ALOX12KDM4E | |
| SCHEMBL11218889 | 0.84 | ALOX15 (0.46) | ALOX15ALOX12KDM4EMITFALDH1A1 | |
| SCHEMBL13003651 | 0.84 | ALOX15 (0.46) | ALOX15ALOX12KDM4EMITFALDH1A1 | |
| SCHEMBL8244070 | 0.79 | ALOX15 (0.50) | ALOX15ALOX12KDM4EMITFALDH1A1 | |
| SCHEMBL19049501 | 0.78 | KDM4E (0.50) | KDM4EMITFALDH1A1HTT | |
| SCHEMBL20061670 | 0.76 | ALOX15 (0.60) | ALOX15ALOX12KDM4EMITFALDH1A1 | |
| SCHEMBL10839564 | 0.76 | SLC6A4 (0.53) | ALOX15ALOX12 | |
| SCHEMBL10839557 | 0.76 | SLC6A4 (0.53) | ALOX15ALOX12 | |
| SCHEMBL11222002 | 0.76 | PPARG (0.54) | KDM4EMITFALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |