Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL11251153 | 0.98 | CYP2C19 (0.44) | CYP2C19CYP2C9HSD17B10MAPTL3MBTL1 | |
| SCHEMBL10981221 | 0.82 | MAPT (0.44) | CYP2C19CYP2C9HSD17B10MAPTL3MBTL1 | |
| SCHEMBL11025090 | 0.82 | MAPT (0.44) | CYP2C19CYP2C9HSD17B10MAPTL3MBTL1 | |
| SCHEMBL11770964 | 0.82 | ALDH1A1 (0.41) | CYP2C19CYP2C9MAPTHTTALDH1A1 | |
| SCHEMBL11767314 | 0.81 | HPGD (0.41) | HSD17B10MAPTRAB9AALDH1A1HPGD | |
| SCHEMBL11773358 | 0.80 | SMN1; SMN2 (0.40) | MAPTL3MBTL1RAB9AALDH1A1CA1 | |
| Fluoride SCHEMBL11728897 | 0.79 | HPGD (0.39) | RAB9AALDH1A1HPGDNPC1CA12 | |
| SCHEMBL11023828 | 0.77 | ALDH1A1 (0.46) | MAPTL3MBTL1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL11769694 | 0.77 | CA1 (0.47) | MAPTRAB9AHTTALDH1A1HPGD | |
| SCHEMBL21376506 | 0.72 | TSHR (0.55) | CYP2C19MAPTL3MBTL1ALDH1A1TSHR |
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-3997549-A | INSECTICIDE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1976-12-14 | — | — | US | disclosed |