Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CTRC | Q99895 | 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 | |
|---|---|---|---|---|
| SCHEMBL1119380 | 0.84 | BCL2L1 (0.48) | PARP1BCHEKDM4EALDH1A1HSD17B10 | |
| SCHEMBL29945415 | 0.84 | BCL2L1 (0.48) | PARP1BCHEKDM4EALDH1A1HSD17B10 | |
| SCHEMBL14785203 | 0.79 | PARP10 (0.51) | BCHEKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL2207749 | 0.79 | BCL2L1 (0.52) | PARP1BCHEBCL2L1BADDRD2 | |
| SCHEMBL1632063 | 0.79 | PNMT (0.42) | BCHEKDM1ANUDT1DRD2GRIA1 | |
| SCHEMBL4213135 | 0.78 | KDM1A (0.47) | PARP1BCHEKDM1ATSHRNUDT1 | |
| SCHEMBL4206469 | 0.76 | BCHE (0.39) | PARP1BCHEKDM1AALDH1A1TSHR | |
| SCHEMBL30916119 | 0.76 | NOTUM (0.47) | PARP1BCHEBRD4KDM1AALDH1A1 | |
| SCHEMBL20539302 | 0.76 | NOTUM (0.47) | PARP1BCHEBRD4KDM1AALDH1A1 | |
| SCHEMBL20570899 | 0.75 | NUDT1 (0.43) | BCHEKDM1ANUDT1 |
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-2034998-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008079427-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-03 | — | — | WO | disclosed |