Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19327506 | 0.90 | KLK5 (0.51) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 | |
| SCHEMBL19327507 | 0.90 | KLK5 (0.51) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 | |
| SCHEMBL31377319 | 0.88 | MAPT (0.49) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 | |
| SCHEMBL22811132 | 0.88 | MAPK1 (0.52) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 | |
| SCHEMBL8932374 | 0.88 | MAPK1 (0.52) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 | |
| SCHEMBL9491221 | 0.88 | ATM (0.59) | ALDH1A1CYP3A4TSHRALOX15ATM | |
| SCHEMBL330432 | 0.88 | ATM (0.59) | ALDH1A1CYP3A4TSHRALOX15ATM | |
| SCHEMBL12400686 | 0.87 | KYNU (0.62) | ALDH1A1KYNUCASP1ALOX15 | |
| SCHEMBL2617394 | 0.87 | KYNU (0.62) | ALDH1A1KYNUCASP1ALOX15 | |
| SCHEMBL8932361 | 0.86 | MAPK1 (0.51) | MAPTNPBWR1NPSR1MCHR1ALDH1A1 |
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-5144073-A | Decyclization of diketopiperazine intermediates | EASTMAN CHEMICAL COMPANY | 1992-09-01 | — | — | US | disclosed |