Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14672059 | 1.00 | HCAR2 (0.43) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL8636453 | 1.00 | HCAR2 (0.43) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL2866836 | 1.00 | HCAR2 (0.43) | HCAR2HTTALDH1A1LMNATSHR | |
| Ammonia Solution, Strong SCHEMBL21219091 | 0.97 | HCAR2 (0.41) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL2859729 | 0.91 | TSHR (0.46) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL31276638 | 0.90 | HCAR2 (0.40) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL31276566 | 0.90 | HCAR2 (0.40) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL6672464 | 0.90 | HCAR2 (0.40) | HCAR2HTTALDH1A1LMNATSHR | |
| Ammonia Solution, Strong SCHEMBL21219122 | 0.89 | TSHR (0.43) | HCAR2HTTALDH1A1LMNATSHR | |
| SCHEMBL5451398 | 0.87 | HSD17B10 (0.39) | HCAR2HTTALDH1A1LMNATSHR |
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-1071474-B1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2005-11-30 | — | — | EP | disclosed |
| US-6479477-B1 | SUITABLE FOR USE IN MODULATING INTRA- AND EXTRACELLULAR PROCESSES IN WHICH SUPEROXIDE RADICALS, OR OTHER OXIDANTS SUCH AS HYDROGEN PEROXIDE OR PEROXYNITRITE, ARE A PARTICIPANT | DUKE UNIVERSITY | 2002-11-12 | — | — | US | disclosed |