Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19803783 | 0.96 | ALDH1A1 (0.50) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL6608023 | 0.90 | ALDH1A1 (0.56) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL850634 | 0.88 | TAAR1 (0.52) | ALDH1A1TSHRPTGS1FFAR1MEN1 | |
| Hydrochloric Acid SCHEMBL29228608 | 0.86 | LMNA (0.50) | ALDH1A1TSHRPTGS1FFAR1MEN1 | |
| SCHEMBL3392101 | 0.78 | HRH3 (0.43) | TSHRPTGS1FFAR1HTTABCC4 | |
| SCHEMBL5370467 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL428698 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL68489 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL21514977 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 | |
| SCHEMBL10034432 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRPTGS1HSD17B10ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231680-A2 | LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF | Massachusetts Institute of Technology (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009076622-A2 | LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-06-18 | — | — | WO | disclosed |