Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25399539 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL28219976 | 0.77 | HTR2A (0.34) | — | |
| SCHEMBL27775843 | 0.75 | CYP2D6 (0.38) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL159454 | 0.73 | GABRA1 (0.41) | CYP1A2CYP3A4LMNAALDH1A1HIF1A | |
| SCHEMBL14395925 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL30678522 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL30678523 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL17448132 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL2782006 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL10514295 | 0.70 | P2RX7 (0.35) | — |
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 |