Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CBX7 | O95931 | 1/20 | 0.40 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.40 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19754284 | 0.82 | CES1 (0.48) | ALDH1A1CES1BCHEKDM4EPOLB | |
| SCHEMBL31337320 | 0.81 | CES1 (0.44) | ALDH1A1ALDH2ALDH3A1GPR55CNR1 | |
| SCHEMBL16905130 | 0.76 | CNR1 (0.50) | ALDH1A1GPR55CNR1KDM4ETP53 | |
| SCHEMBL18133606 | 0.76 | ADRA2B (0.44) | ALDH1A1GPR55CNR1KDM4ECBX7 | |
| SCHEMBL22096127 | 0.75 | MEN1 (0.39) | ALDH1A1GPR55CNR1CES1BCHE | |
| SCHEMBL21442804 | 0.75 | MEN1 (0.39) | ALDH1A1GPR55CNR1CES1BCHE | |
| SCHEMBL28501538 | 0.74 | KMT2A (0.62) | ALDH1A1GPR55KDM4ECBX7CDYL | |
| SCHEMBL30501016 | 0.73 | MEN1 (0.55) | ALDH1A1CES1BCHEKDM4EPOLB | |
| SCHEMBL357510 | 0.73 | MEN1 (0.55) | ALDH1A1CES1BCHEKDM4EPOLB | |
| SCHEMBL30833582 | 0.73 | MEN1 (0.55) | ALDH1A1CES1BCHEKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-9947876-B2 | Organic electroluminescence device and electronic device | IDEMITSU KOSAN CO., LTD. (JP) | 2018-04-17 | — | — | US | disclosed |
| US-20160301014-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2016-10-13 | — | — | US | disclosed |