Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28124735 | 0.88 | HCRTR2 (0.38) | TMEM97SIGMAR1TBXA2RTBXAS1ALDH1A1 | |
| SCHEMBL28061680 | 0.87 | LTB4R (0.38) | TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL28125140 | 0.85 | GLA (0.43) | MEN1KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL28067355 | 0.84 | MMP9 (0.44) | — | |
| SCHEMBL28061646 | 0.81 | KDM4E (0.38) | TMEM97SIGMAR1KDM4EALDH1A1HCRTR1 | |
| SCHEMBL27809084 | 0.79 | EGFR (0.39) | TMEM97SIGMAR1TBXA2RTBXAS1KMT2A | |
| SCHEMBL28061679 | 0.78 | P2RX3 (0.40) | MEN1KMT2A | |
| SCHEMBL28093132 | 0.78 | SMN1; SMN2 (0.39) | TBXAS1KDM4EALDH1A1SMN1; SMN2HCRTR1 | |
| SCHEMBL28294382 | 0.73 | TBXA2R (0.32) | TBXA2RTBXAS1 | |
| SCHEMBL28331791 | 0.69 | MAPK1 (0.31) | — |
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 |