Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.31 |
| ▸ | C1R | P00736 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700565 | 0.76 | SIGMAR1 (0.50) | TAAR1IDO1SIGMAR1CYP2D6CYP2C19 | |
| SCHEMBL6916478 | 0.74 | SIGMAR1 (0.49) | TAAR1IDO1SIGMAR1CYP2D6CYP2C19 | |
| SCHEMBL11270512 | 0.73 | TSHR (0.48) | TAAR1IDO1SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL31525968 | 0.72 | — | — | |
| SCHEMBL172901 | 0.72 | — | — | |
| SCHEMBL10477332 | 0.71 | MAPT (0.47) | TAAR1SLC6A4SLC6A2 | |
| SCHEMBL8576431 | 0.71 | GABRA1 (0.46) | GAA | |
| SCHEMBL322185 | 0.71 | NPC1 (0.46) | SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17161262 | 0.71 | TAAR1 (0.42) | TAAR1IDO1SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL11259775 | 0.71 | SIGMAR1 (0.46) | TAAR1IDO1SIGMAR1CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |