Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRPF1 | P55201 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27743927 | 0.80 | KDM4E (0.39) | ALDH1A1KDM4EHSD17B10HPGDCYP1A2 | |
| SCHEMBL2031141 | 0.77 | BRPF1 (0.40) | BRPF1ALDH1A1KDM4EHSD17B10HPGD | |
| Trimethylammonium SCHEMBL27743931 | 0.76 | KDM4E (0.36) | ALDH1A1KDM4EHSD17B10HPGDCYP1A2 | |
| SCHEMBL27774709 | 0.73 | ACHE (0.42) | ALDH1A1KDM4EHTTCYP3A4MEN1 | |
| SCHEMBL5002060 | 0.71 | KDM4E (0.60) | BRPF1ALDH1A1KDM4EHSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL5010256 | 0.69 | KDM4E (0.58) | BRPF1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL27723150 | 0.68 | ACHE (0.35) | HPGDCYP1A2KMT2ATSHRPOLB | |
| SCHEMBL3305181 | 0.68 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10HPGDCYP1A2 | |
| SCHEMBL9892413 | 0.68 | ALDH1A1 (0.67) | BRPF1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL27723149 | 0.68 | CA12 (0.47) | ALDH1A1KDM4ECYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101321745-A | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICAL CO (JP) | 2008-12-10 | — | — | CN | disclosed |