Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1531966 | 0.94 | SIGMAR1 (0.37) | SIGMAR1LMNATAAR1IDO1ALDH1A1 | |
| SCHEMBL8939729 | 0.87 | TAAR1 (0.43) | CYP1A2HTTRAB9ALMNATAAR1 | |
| SCHEMBL79754 | 0.78 | CALM1 (0.50) | LMNAIDO1ALDH1A1MAPT | |
| SCHEMBL1532140 | 0.78 | TACR1 (0.33) | SIGMAR1TAAR1IDO1 | |
| SCHEMBL4390802 | 0.76 | APP (0.37) | IDO1 | |
| SCHEMBL6353303 | 0.76 | IDO1 (0.37) | CYP1A2NPC1HTTRAB9ALMNA | |
| SCHEMBL1531987 | 0.76 | IDO1 (0.37) | LMNATAAR1IDO1ALDH1A1MAPT | |
| SCHEMBL17956849 | 0.76 | CYP3A4 (0.50) | MAOBNPC1RAB9ASIGMAR1CYP19A1 | |
| SCHEMBL8791282 | 0.76 | ESR1 (0.50) | CYP1A2SIGMAR1LMNATAAR1IDO1 | |
| SCHEMBL27490282 | 0.76 | TP53 (0.44) | CYP1A2NPC1RAB9ALMNATAAR1 |
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-6353128-B1 | FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK. | ELI LILLY AND COMPANY | 2002-03-05 | — | — | US | disclosed |