Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2008961 | 1.00 | CES2 (0.64) | CES2CES1CA4CA1CA2 | |
| SCHEMBL21220132 | 1.00 | CES2 (0.64) | CES2CES1CA4CA1CA2 | |
| SCHEMBL3277627 | 0.91 | MAPT (0.59) | CES2CES1CA1CA2MAPT | |
| SCHEMBL10685198 | 0.90 | LTA4H (0.69) | CES2CES1CA4CA1CA2 | |
| SCHEMBL15232917 | 0.84 | PDE4A (0.56) | CES2CES1CA1CA2MAPT | |
| SCHEMBL10679674 | 0.84 | PARP10 (0.59) | CES2CES1CA1CA2MEN1 | |
| SCHEMBL14264170 | 0.83 | ACHE (0.65) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL10518077 | 0.82 | CES2 (0.69) | CES2CES1CA4CA1CA2 | |
| SCHEMBL7953 | 0.82 | CES2 (0.69) | CES2CES1CA4CA1CA2 | |
| SCHEMBL4025301 | 0.82 | MEN1 (0.52) | CA1CA2MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016206615-A1 | AIE LUMINOGENS FOR VISUALIZATION AND TREATMENT OF CANCER | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-12-29 | — | — | WO | disclosed |