Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.44 |
| ▸ | FABP4 | P15090 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 4/20 | 0.43 |
| ▸ | MAP2 | P11137 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16837439 | 0.95 | DPP4 (0.47) | FABP3FABP4DPP4MAP2ESR1 | |
| SCHEMBL25410041 | 0.83 | DPP4 (0.48) | DPP4MAP2ESR1ESR2KDM4E | |
| SCHEMBL29416110 | 0.81 | ESR1 (0.53) | DPP4MAP2ESR1ESR2KDM4E | |
| SCHEMBL574096 | 0.81 | ESR1 (0.53) | DPP4MAP2ESR1ESR2KDM4E | |
| SCHEMBL27918089 | 0.79 | KDM4E (0.54) | FABP3FABP4MAP2ESR1ESR2 | |
| SCHEMBL16837443 | 0.79 | ESR1 (0.42) | FABP3FABP4DPP4MAP2ESR1 | |
| SCHEMBL16837432 | 0.79 | CYP1A1 (0.36) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL20800880 | 0.79 | AHR (0.34) | FABP3FABP4DPP4MAP2KDM4E | |
| SCHEMBL21959342 | 0.78 | HSD11B1 (0.35) | MAP2PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL24914174 | 0.77 | TSHR (0.36) | ESR2CYP1A2HPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9065060-B2 | Compound and organic light-emitting device comprising same | LG CHEM, LTD. (KR) | 2015-06-23 | — | — | US | disclosed |