Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4180612 | 0.81 | IRAK4 (0.51) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| SCHEMBL16508286 | 0.78 | CTNNB1 (0.45) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| SCHEMBL3831520 | 0.73 | BCAT2 (0.46) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| SCHEMBL731619 | 0.72 | IRAK4 (0.52) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| SCHEMBL12901599 | 0.72 | CYP3A4 (0.36) | TSHRALDH1A1MAPTHSD17B10POLB | |
| SCHEMBL3262898 | 0.71 | KDM4E (0.44) | IRAK4BCAT2TSHRKDM4EALDH1A1 | |
| SCHEMBL31632660 | 0.71 | IRAK4 (0.55) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| SCHEMBL105262 | 0.71 | IRAK4 (0.55) | CTNNB1IRAK4BCAT2TSHRKDM4E | |
| Diphenylether SCHEMBL23068684 | 0.71 | CTNNB1 (0.74) | CTNNB1BCAT2TSHRKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3683840 | 0.71 | IRAK4 (0.50) | CTNNB1IRAK4BCAT2TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7381750-B2 | Amino-phenoxymethyl-benzamide opioid receptor antagonists | ELI LILLY AND COMPANY (US) | 2008-06-03 | — | — | US | disclosed |