Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852808 | 0.84 | HPRT1 (0.37) | ALDH1A1HSD17B10CYP3A4TSHRTDP1 | |
| SCHEMBL6939002 | 0.75 | HSD11B1 (0.42) | MAOAHSD11B1ALOX5APGRIN2DGRIN3B | |
| SCHEMBL6853102 | 0.67 | ALDH1A1 (0.33) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27547728 | 0.64 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4846118 | 0.64 | GRIN2D (0.47) | MAOAALDH1A1HSD11B1GRIN2DGRIN3B | |
| SCHEMBL28877620 | 0.64 | HSD11B1 (0.41) | MAOAHSD11B1KMT2AALOX5APGRIN2D | |
| SCHEMBL11547069 | 0.64 | HSD11B1 (0.41) | MAOAHSD11B1ALOX5APGRIN2DGRIN3B | |
| SCHEMBL6850950 | 0.64 | HSD11B1 (0.41) | MAOAHSD11B1ALOX5APGRIN2DGRIN3B | |
| Pyrene SCHEMBL27835305 | 0.63 | ALDH1A1 (0.65) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27945675 | 0.62 | ALDH1A1 (0.41) | ALDH1A1HPGDHSD17B10CYP3A4TSHR |
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-6777111-B1 | HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE | KABUSHIKI KAISHA CHUO KENKYUSHO (JP) | 2004-08-17 | — | — | US | disclosed |