Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL6045232 | 1.00 | TPMT (0.36) | TPMTRXRARXRBCA1CA2 | |
| SCHEMBL13005770 | 1.00 | TPMT (0.36) | TPMTRXRARXRBCA1CA2 | |
| SCHEMBL5873407 | 0.83 | CES2 (0.45) | — | |
| SCHEMBL5873408 | 0.83 | CES2 (0.45) | — | |
| SCHEMBL6045415 | 0.80 | CYP1A2 (0.38) | IDO1FAAH | |
| SCHEMBL6045414 | 0.80 | CYP1A2 (0.38) | IDO1FAAH | |
| SCHEMBL13005771 | 0.80 | CYP1A2 (0.38) | IDO1FAAH | |
| SCHEMBL13005774 | 0.72 | CYP1A2 (0.41) | IDO1 | |
| SCHEMBL6045284 | 0.72 | CYP1A2 (0.41) | IDO1 | |
| SCHEMBL6045280 | 0.72 | CYP1A2 (0.41) | IDO1 |
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 6 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 |
| WO-1998016830-A9 | DROPLET ASSAY SYSTEM | — | 1998-08-13 | — | — | WO | disclosed |
| WO-1998016830-A2 | DROPLET ASSAY SYSTEM | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-04-23 | — | — | WO | disclosed |