Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.37 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.37 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.36 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716358 | 0.89 | GRIN2B (0.46) | TP53CYP3A4CYP2C9CYP2C19GRIN2B | |
| SCHEMBL8719069 | 0.88 | KIF11 (0.39) | TP53PNMTSLC16A3SLC16A1MCTS1 | |
| SCHEMBL8718508 | 0.86 | PNMT (0.42) | HTR2AHTR2CHTR2BGRIN2BPNMT | |
| SCHEMBL8713653 | 0.86 | KIF11 (0.38) | TP53CYP3A4CYP2C9CYP2C19PNMT | |
| SCHEMBL8713660 | 0.86 | SLC6A2 (0.41) | CYP2C19PNMTKCNJ5KCNJ3KCNJ6 | |
| SCHEMBL8718275 | 0.84 | KIF11 (0.37) | TP53CYP3A4GRIN2BPNMTKCNJ5 | |
| SCHEMBL8719228 | 0.83 | MAPT (0.44) | TP53HTR2AHTR2CHTR2BPNMT | |
| SCHEMBL8716588 | 0.81 | SLC6A2 (0.39) | CYP3A4CYP2C9CYP2C19GRIN2BPNMT | |
| SCHEMBL8716735 | 0.80 | SLC6A2 (0.38) | TP53GRIN2BPNMTKMT2A | |
| SCHEMBL8713910 | 0.78 | SLC6A2 (0.41) | PNMTHTTSMN1; SMN2 |
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-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |