Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HPGD | P15428 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2825118 | 0.86 | CYP2A6 (0.61) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL7773883 | 0.81 | CYP2A6 (0.54) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL787960 | 0.78 | CYP2A6 (0.59) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL5276244 | 0.75 | MAPT (0.68) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL5276252 | 0.75 | MAPT (0.68) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL30209646 | 0.75 | MAPT (0.68) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL531504 | 0.75 | MEN1 (0.77) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL15486685 | 0.75 | MEN1 (0.77) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL179873 | 0.75 | MEN1 (0.77) | CYP2A6IMPDH2ALDH1A1HPGDMAPT | |
| SCHEMBL31357475 | 0.75 | MEN1 (0.77) | CYP2A6IMPDH2ALDH1A1HPGDMAPT |
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-5356794-A | Purified enzymatic preparation derived from chromobacterium violaceum, method for preparing it and its use in the production of α, β-dehydrotryptophanyl-peptides | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 1994-10-18 | — | — | US | disclosed |