Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2578821 | 0.78 | TAAR1 (0.43) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2287476 | 0.69 | — | — | |
| SCHEMBL839724 | 0.69 | — | — | |
| SCHEMBL6045280 | 0.69 | CYP1A2 (0.41) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6045284 | 0.69 | CYP1A2 (0.41) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13005774 | 0.69 | CYP1A2 (0.41) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27997934 | 0.68 | TAAR1 (0.71) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL486290 | 0.67 | CALM1 (0.41) | TAAR1IDO1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL2043471 | 0.66 | — | — | |
| SCHEMBL284465 | 0.66 | — | — |
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-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 |