Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6333445 | 0.93 | AKR1C2 (0.41) | AKR1C2AKR1C1HSD17B1HSD17B2TTR | |
| SCHEMBL6341910 | 0.85 | AKR1C2 (0.36) | AKR1C2AKR1C1TTRALKBH3ALDH1A1 | |
| SCHEMBL6343093 | 0.83 | AKR1C2 (0.40) | AKR1C2AKR1C1TP53TDP1 | |
| SCHEMBL6343778 | 0.80 | ALOX15 (0.35) | CYP1A2CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL6337329 | 0.80 | RPS6KA3 (0.39) | HSD17B1HSD17B2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6343766 | 0.80 | CYP2C9 (0.56) | CYP1A2CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL27685440 | 0.80 | AKR1C2 (0.41) | AKR1C2AKR1C1HSD17B1HSD17B2TTR | |
| SCHEMBL6336104 | 0.79 | FYN (0.37) | — | |
| SCHEMBL6333440 | 0.77 | ESR2 (0.39) | AKR1C2AKR1C1HSD17B1HSD17B2ALKBH3 | |
| SCHEMBL6335356 | 0.75 | RPS6KA3 (0.44) | HSD17B1HSD17B2 |
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-20050228167-A1 | Molecular compounds containing polymers having hydrogen bond sites as the constituent compounds | NIPPON SODA CO., LTD. (JP) | 2005-10-13 | — | — | US | disclosed |
| US-6147169-A | LOW TEMPERATURE CURING MIXTURE OF REACTIVE BASE RESIN AND A CLATHRATE COMPRISING A TETRAKISPHENOL HOSTING A CURING AGENT OR CURING CATALYST; STORAGE STABILITY, CORROSION RESISTANCE, ADHESION | KANSAI PAINT CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |