Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11509161 | 0.86 | KDM4E (0.41) | ALDH1A1HTTLMNAMEN1KMT2A | |
| SCHEMBL11513078 | 0.84 | HDAC2 (0.48) | RXRARXRBRXRGHDAC2HDAC3 | |
| SCHEMBL11512644 | 0.81 | PTGS1 (0.39) | ALDH1A1HPGDHTTCYP2C9CYP2C19 | |
| SCHEMBL11511752 | 0.81 | PTGS1 (0.39) | ALDH1A1HPGDHTTCYP2C19CYP1A2 | |
| SCHEMBL11511426 | 0.77 | GAA (0.45) | ALDH1A1NPSR1HPGDHTTMAPT | |
| SCHEMBL11511549 | 0.77 | GAA (0.45) | ALDH1A1NPSR1HPGDHTTMAPT | |
| SCHEMBL11512657 | 0.74 | RXRA (0.47) | RXRARXRBRXRGHDAC2HDAC3 | |
| SCHEMBL11511226 | 0.73 | IDH1 (0.37) | ALDH1A1GAAPTGS1PTGS2MEN1 | |
| SCHEMBL11511862 | 0.73 | PTGS1 (0.33) | HTTGAAPTGS1PTGS2TSHR | |
| SCHEMBL11510217 | 0.71 | CDC25A (0.43) | ALDH1A1PTGS1PTGS2MEN1KMT2A |
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-4178253-A | 1,2,4-TRIAZOLE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1979-12-11 | — | — | US | disclosed |