Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.34 |
| ▸ | EIF4H | Q15056 | 2/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11659787 | 0.84 | AKR1B1 (0.49) | AKR1B1MAPK14MAPTACHEALDH1A1 | |
| SCHEMBL11659041 | 0.84 | AKR1B1 (0.50) | AKR1B1MAPK14MAPTTP53ACHE | |
| SCHEMBL11567792 | 0.82 | AKR1B1 (0.52) | AKR1B1MAPK14MAPTTP53ALDH1A1 | |
| SCHEMBL11663201 | 0.79 | AKR1B1 (0.61) | AKR1B1MAPK14MAPTACHEALDH1A1 | |
| SCHEMBL11826995 | 0.78 | AKR1B1 (0.71) | AKR1B1MAPK14MAPTALDH1A1HPGD | |
| SCHEMBL2007673 | 0.78 | AKR1B1 (0.57) | AKR1B1MAPK14ALDH1A1HPGDKDM4E | |
| SCHEMBL11566798 | 0.78 | AKR1B1 (0.52) | AKR1B1MAPK14MAPTACHEALDH1A1 | |
| SCHEMBL11659849 | 0.78 | AKR1B1 (0.49) | AKR1B1MAPK14MAPTACHEALDH1A1 | |
| SCHEMBL8880119 | 0.77 | AKR1B1 (0.66) | AKR1B1MAPK14MAPTACHEHPGD | |
| SCHEMBL11569877 | 0.76 | AKR1B1 (0.61) | AKR1B1MAPK14ACHEALDH1A1L3MBTL1 |
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-4066663-A | 6,11-Dihydrodibenzo-[b. e.]-thiepin-11-one-3-aldehyde and 3-acetal derivatives | SYNTEX (U.S.A.) INC. (US) | 1978-01-03 | — | — | US | disclosed |