Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13460198 | 0.95 | USP2 (0.47) | IP6K1KEAP1NFE2L2SERPINE1KDM4E | |
| SCHEMBL21701455 | 0.78 | MAPT (0.57) | KEAP1NFE2L2SERPINE1ALDH1A1 | |
| SCHEMBL3049167 | 0.77 | MAPT (0.62) | IP6K1ALDH1A1HTR6ADRB1 | |
| SCHEMBL2220368 | 0.76 | ADRB1 (0.54) | IP6K1KDM4EUSP2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL2489674 | 0.75 | ADRB1 (0.52) | IP6K1KDM4EUSP2ALDH1A1TSHR | |
| SCHEMBL334256 | 0.74 | ALDH1A1 (0.64) | KDM4EUSP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL13460145 | 0.73 | ADRB1 (0.65) | ALDH1A1HTR6ADRB1 | |
| SCHEMBL730033 | 0.73 | KDM4E (0.59) | IP6K1KDM4EUSP2ALDH1A1TSHR | |
| SCHEMBL21701474 | 0.72 | SMN1; SMN2 (0.58) | KDM4EALDH1A1TSHRHSD17B10 | |
| SCHEMBL13460163 | 0.72 | MAPT (0.48) | KEAP1NFE2L2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010031707-A1 | NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |