Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19933546 | 0.85 | LDHA (0.55) | BAZ2BHPGDSLDHA | |
| SCHEMBL19933523 | 0.85 | TRPV1 (0.60) | TRPV1SIRT2SIRT1SIRT3BAZ2B | |
| SCHEMBL18573404 | 0.80 | TRPV1 (0.49) | TRPV1SIRT2SIRT1SIRT3BAZ2B | |
| SCHEMBL18573397 | 0.79 | BAZ2B (0.68) | TRPV1SIRT2SIRT1SIRT3BAZ2B | |
| SCHEMBL18573164 | 0.79 | LDHA (0.63) | TRPV1BAZ2BP4HTMHPGDSNPC1 | |
| SCHEMBL22059853 | 0.78 | LDHA (0.47) | BAZ2BHPGDSLDHA | |
| SCHEMBL22563324 | 0.78 | TRPV1 (0.53) | TRPV1SIRT2SIRT1SIRT3BAZ2B | |
| SCHEMBL23018779 | 0.78 | TRPV1 (0.55) | TRPV1SIRT2SIRT1SIRT3BAZ2B | |
| SCHEMBL21125569 | 0.76 | LDHA (0.49) | BAZ2BHPGDSNPC1ALDH1A1RAB9A | |
| SCHEMBL23018724 | 0.76 | HPGDS (0.53) | TRPV1SIRT2SIRT1SIRT3BAZ2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018069196-A1 | BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018054798-A1 | BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-29 | — | — | WO | disclosed |