Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | IDH2 | P48735 | 3/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19574003 | 1.00 | HDAC6 (0.47) | HDAC6GPBAR1SIGMAR1AOC3IDH2 | |
| SCHEMBL23246818 | 0.83 | HDAC6 (0.50) | HDAC6AOC3IDH2LRRK2SMPD3 | |
| SCHEMBL19145301 | 0.83 | HDAC6 (0.50) | HDAC6AOC3IDH2LRRK2SMPD3 | |
| SCHEMBL23341085 | 0.83 | IDH2 (0.52) | HDAC6AOC3IDH2SLC6A9CCNE2 | |
| SCHEMBL23341096 | 0.83 | IDH2 (0.52) | HDAC6AOC3IDH2SLC6A9CCNE2 | |
| SCHEMBL16503310 | 0.80 | SMPD3 (0.46) | SMPD3SLC6A9KMT2A | |
| SCHEMBL30416706 | 0.80 | HDAC6 (0.53) | HDAC6AOC3SMPD3 | |
| SCHEMBL10058606 | 0.80 | SMPD3 (0.46) | SMPD3SLC6A9KMT2A | |
| SCHEMBL19105539 | 0.80 | HDAC6 (0.45) | HDAC6AOC3IDH2LRRK2SMPD3 | |
| SCHEMBL3929507 | 0.79 | RIPK1 (0.46) | SIGMAR1AOC3DRD2RIPK1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3300500-B1 | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-02-26 | — | — | EP | disclosed |
| WO-2018093579-A1 | TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |