Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | PDE9A | O76083 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2379728 | 0.84 | ESR1 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10HSD17B1 | |
| SCHEMBL29350362 | 0.84 | ESR1 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10HSD17B1 | |
| SCHEMBL36279 | 0.84 | ESR1 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10HSD17B1 | |
| SCHEMBL25060858 | 0.82 | ESR1 (0.50) | CYP1A2ALDH1A1HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL25566510 | 0.82 | ESR1 (0.50) | CYP1A2ALDH1A1HPGDHSD17B10HSD17B1 | |
| Methane SCHEMBL27979911 | 0.82 | ESR1 (0.50) | CYP1A2ALDH1A1HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL22127106 | 0.81 | HSD17B1 (0.57) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL29884153 | 0.81 | HSD17B1 (0.57) | CYP1A2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL3867431 | 0.81 | ESR1 (0.48) | CYP1A2ALDH1A1HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL869632 | 0.81 | GSTP1 (0.48) | CYP1A2ALDH1A1HPGDHSD17B10THRB |
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 |
|---|---|---|---|---|---|---|---|
| JP-60008381-A | — | — | None | — | — | JP | disclosed |
| JP-S608381-A | ELECTROCHROMIC MATERIAL | HITACHI LTD | 1985-01-17 | — | — | JP | disclosed |