Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28093132 | 0.84 | SMN1; SMN2 (0.39) | KDM4EALDH1A1HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL28061650 | 0.81 | TMEM97 (0.35) | KDM4EALDH1A1TMEM97SIGMAR1HCRTR1 | |
| SCHEMBL28124735 | 0.78 | HCRTR2 (0.38) | ALDH1A1TMEM97SIGMAR1LMNAHCRTR1 | |
| SCHEMBL28125140 | 0.76 | GLA (0.43) | KDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL28061680 | 0.76 | LTB4R (0.38) | TMEM97SIGMAR1 | |
| SCHEMBL28067355 | 0.73 | MMP9 (0.44) | CYP3A4 | |
| SCHEMBL27809084 | 0.73 | EGFR (0.39) | KDM4EALDH1A1TMEM97SIGMAR1 | |
| SCHEMBL28061679 | 0.70 | P2RX3 (0.40) | LMNACYP3A4 | |
| SCHEMBL16461505 | 0.68 | GLA (0.52) | KDM4EALDH1A1MAPK1CHRM1SCN9A | |
| SCHEMBL28093453 | 0.68 | CYP2A6 (0.39) | DRD2DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829294-A | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | 詹森药业有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105636952-A | Secondary alcohol quinolinyl modulators of roryt | JANSSEN PHARMACEUTICA NV | 2016-06-01 | — | — | CN | disclosed |