Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL131853 | 0.92 | CYP3A4 (0.50) | CYP3A4TSHRTDP1MAPK1TYR | |
| Toluene SCHEMBL28374870 | 0.91 | CNR2 (0.41) | CYP3A4TSHRTDP1MAPK1TYR | |
| Toluene SCHEMBL28824127 | 0.85 | CNR2 (0.38) | CYP3A4TSHRTDP1MAPK1TYR | |
| SCHEMBL28464182 | 0.85 | CYP3A4 (0.44) | CYP3A4TSHRTDP1MAPK1TYR | |
| SCHEMBL21934213 | 0.81 | CYP3A4 (0.71) | CYP3A4TSHRTDP1MAPK1TYR | |
| Ethane SCHEMBL6323027 | 0.81 | CYP3A4 (0.50) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL5925 | 0.81 | — | — | |
| SCHEMBL245090 | 0.81 | MIF (0.55) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL19459346 | 0.81 | MIF (0.55) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| Benzene SCHEMBL11510532 | 0.81 | MIF (0.55) | CYP3A4TSHRTDP1MAPK1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1301512-A2 | BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002008227-A2 | BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-01-31 | — | — | WO | disclosed |