Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 1/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698508 | 0.85 | MYC (0.44) | CD38RPS6KB1AURKAMYCALDH1A1 | |
| SCHEMBL3704894 | 0.82 | ALDH1A1 (0.48) | CD38RPS6KB1AURKAMYCALDH1A1 | |
| SCHEMBL3708751 | 0.80 | HTT (0.43) | CD38RPS6KB1AURKATSHRMYC | |
| SCHEMBL5482149 | 0.76 | MYC (0.47) | CD38MYCALDH1A1ALOX15KMT2A | |
| SCHEMBL1788703 | 0.74 | BCAT2 (0.59) | TSHRMYCALDH1A1KMT2AKDM4E | |
| SCHEMBL6131490 | 0.74 | GSK3B (0.48) | CD38RPS6KB1KMT2AKDM4ECLK4 | |
| SCHEMBL7739113 | 0.73 | CDC7 (0.43) | CD38RPS6KB1AURKACLK4CDC7 | |
| SCHEMBL5742619 | 0.73 | MYC (0.53) | TSHRMYCALDH1A1KDM4EHPGD | |
| SCHEMBL30311518 | 0.73 | HSD17B10 (0.63) | CD38RPS6KB1AURKAALDH1A1KMT2A | |
| SCHEMBL3135445 | 0.73 | MYC (0.53) | CYP1A2TSHRMYCCYP2C9ALDH1A1 |
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-2197835-A1 | BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS | Prosidion Limited (GB) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009030962-A1 | BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS | PROSIDION LIMITED (GB) | 2009-03-12 | — | — | WO | disclosed |