Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | ACR | P10323 | 1/20 | 0.43 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL414168 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP19A1CYP2C9CYP2C19TSHR | |
| SCHEMBL1020538 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL9702597 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL3707532 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL9162002 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL11848774 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL7777016 | 0.90 | NR5A1 (0.54) | TSHRLTA4HNR5A1LMNAGAA | |
| SCHEMBL991987 | 0.88 | CYP2C9 (0.50) | CYP1A2CYP19A1CYP2C9CYP2C19TSHR | |
| SCHEMBL1493053 | 0.86 | CYP3A4 (0.52) | CYP1A2CYP19A1CYP2C9CYP2C19TSHR | |
| SCHEMBL10341873 | 0.86 | CYP3A4 (0.52) | CYP1A2CYP19A1CYP2C9CYP2C19TSHR |
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 |