Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11423252 | 0.89 | ALDH1A1 (0.80) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL11424079 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL11432001 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL11108897 | 0.87 | ALDH1A1 (0.61) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL11426403 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL11431995 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL7820960 | 0.85 | HSD17B10 (0.76) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL8437634 | 0.84 | FFAR1 (0.59) | ALDH1A1HSD17B10CA2MAPTRXFP1 | |
| SCHEMBL4970664 | 0.83 | AKR1B1 (0.74) | ALDH1A1HSD17B10HPGDCA2CAMK2A | |
| SCHEMBL963431 | 0.82 | ALDH1A1 (0.69) | ALDH1A1HSD17B10HPGDCA2CAMK2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6632921-B1 | Administering as topical fungicide against Candida | G. D SEARLE & CO | 2003-10-14 | — | — | US | disclosed |
| US-5942600-A | COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL | G. D. SEARLE & CO. (US) | 1999-08-24 | — | — | US | disclosed |