Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL9888727 | 0.82 | USP2 (0.32) | ALDH1A1USP2TSHRCA14HPGD | |
| SCHEMBL11581547 | 0.79 | GAA (0.33) | ALDH1A1CA14HPGDHTTRAB9A | |
| SCHEMBL11579784 | 0.79 | HPGD (0.36) | ALDH1A1CA14HPGDHTTRAB9A | |
| SCHEMBL26145141 | 0.79 | GRIA1 (0.37) | ALDH1A1CA14HPGDHTTRAB9A | |
| SCHEMBL12161279 | 0.78 | TDP1 (0.35) | CA2 | |
| SCHEMBL25080897 | 0.78 | USP2 (0.36) | USP2TSHR | |
| SCHEMBL27182939 | 0.77 | GAA (0.33) | ALDH1A1CA14HPGDHTTRAB9A | |
| SCHEMBL791919 | 0.77 | CA14 (0.32) | USP2TSHRCA14CA12CA9 | |
| SCHEMBL9888998 | 0.74 | PLA2G2C (0.30) | — | |
| SCHEMBL13275294 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8197994-B2 | Colorant of a dipyrromethene-based metal complex obtained from a metal of iron, zinc, cobalt, copper or vanadium oxide and a dipyrromethene-based compound and a phthalocyanine dye | FUJIFILM CORPORATION (JP) | 2012-06-12 | — | — | US | disclosed |