Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DDX3X | O00571 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16897779 | 0.81 | ALDH1A1 (0.40) | TRPV1ALDH1A1HTTGAAUSP2 | |
| SCHEMBL16897778 | 0.81 | ALDH1A1 (0.40) | TRPV1ALDH1A1HTTGAAUSP2 | |
| SCHEMBL28055766 | 0.63 | NR4A1 (0.65) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL10405241 | 0.63 | TRPV1 (0.60) | TRPV1ALDH1A1HTTGAAIMPDH2 | |
| SCHEMBL23987362 | 0.63 | TGM2 (0.63) | TRPV1ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL28291952 | 0.62 | CYP1A2 (0.61) | TRPV1ALDH1A1HTTGAAIMPDH2 | |
| SCHEMBL13009735 | 0.62 | NMT1 (0.64) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL17693070 | 0.61 | MAPT (0.81) | TRPV1ALDH1A1GAAIMPDH2MEN1 | |
| SCHEMBL23343634 | 0.61 | MMP1 (0.62) | MEN1KMT2AMAPTTP53LMNA | |
| SCHEMBL9864914 | 0.61 | TGM2 (0.59) | ALDH1A1HTTTP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061966-B | Bicyclic heterocycle derivatives as bromodomain inhibitor | 奥赖恩公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-106061966-A | Bicyclic heterocyclic derivatives as bromodomain inhibitors | 奥赖恩公司 | 2016-10-26 | — | — | CN | disclosed |