Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 8/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14395937 | 0.82 | MAPT (0.40) | HSD17B1HSD17B2CYP3A4CYP2C9CNR1 | |
| SCHEMBL19453513 | 0.81 | PRSS1 (0.43) | NQO2HSD17B1HSD17B2HTR3EHTR3B | |
| SCHEMBL10367391 | 0.81 | MAPT (0.52) | NQO2HSD17B1HSD17B2HTR3EHTR3B | |
| SCHEMBL11400156 | 0.77 | HSD17B1 (0.43) | NQO2HSD17B1HSD17B2HTR3EHTR3B | |
| SCHEMBL938500 | 0.77 | KMO (0.52) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 | |
| SCHEMBL27605120 | 0.77 | HSD17B1 (0.52) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 | |
| SCHEMBL10367856 | 0.74 | ATM (0.55) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 | |
| SCHEMBL6666581 | 0.74 | IKBKB (0.53) | NQO2HSD17B1HSD17B2HTR3EHTR3B | |
| SCHEMBL725065 | 0.74 | RAB9A (0.53) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 | |
| SCHEMBL2454052 | 0.74 | TSHR (0.53) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606255-B1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | EP | disclosed |