Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 4/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL78476 | 0.90 | ICMT (0.42) | ICMTGSK3BCNR1CNR2HTR6 | |
| SCHEMBL4602810 | 0.82 | ICMT (0.44) | ICMTGSK3BCNR1CNR2HTR6 | |
| SCHEMBL4602804 | 0.81 | ICMT (0.43) | ICMTGSK3BCNR1CNR2HTR6 | |
| SCHEMBL78417 | 0.81 | CNR2 (0.53) | CNR1CNR2ALDH1A1LMNAMAPK1 | |
| SCHEMBL91289 | 0.80 | ICMT (0.55) | ICMTGSK3BCNR1CNR2KDM4E | |
| SCHEMBL13131421 | 0.79 | MAP3K14 (0.35) | ICMTGSK3BCNR1CNR2ALDH1A1 | |
| SCHEMBL8241203 | 0.78 | ALDH1A1 (0.58) | KDM4EALDH1A1LMNAHTTMAPT | |
| SCHEMBL25403772 | 0.77 | CNR1 (0.50) | ICMTCNR1CNR2KDM4EALDH1A1 | |
| SCHEMBL31083818 | 0.77 | CNR1 (0.50) | ICMTCNR1CNR2KDM4EALDH1A1 | |
| SCHEMBL30564140 | 0.77 | SMN1; SMN2 (0.56) | ICMTCNR1CNR2ALDH1A1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |