Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045284 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL13005774 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL13005779 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL5873408 | 0.77 | CES2 (0.45) | CYP2D6CYP2C19AKR1B1 | |
| SCHEMBL5873407 | 0.77 | CES2 (0.45) | CYP2D6CYP2C19AKR1B1 | |
| SCHEMBL13005770 | 0.72 | TPMT (0.36) | IDO1 | |
| SCHEMBL6045232 | 0.72 | TPMT (0.36) | IDO1 | |
| SCHEMBL2578821 | 0.72 | TAAR1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL13005771 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19HTR2AIDO1 | |
| SCHEMBL6044990 | 0.69 | TAAR1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 |
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 4 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 |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | disclosed |