Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | FURIN | P09958 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL628551 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E | |
| SCHEMBL98716 | 0.83 | TRIM24 (0.63) | ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E | |
| SCHEMBL817331 | 0.81 | ALDH1A1 (0.64) | ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E | |
| SCHEMBL609198 | 0.81 | ALDH1A1 (0.64) | ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E | |
| SCHEMBL99032 | 0.79 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A | |
| SCHEMBL2904812 | 0.79 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A | |
| SCHEMBL13920008 | 0.79 | KDM4E (0.54) | ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E | |
| SCHEMBL14394962 | 0.78 | ADRB1 (0.57) | ALDH1A1KDM4ETSHRLMNA | |
| SCHEMBL21411223 | 0.75 | GAA (0.62) | ALDH1A1SMN1; SMN2KDM4EHTR1AHTR2A | |
| SCHEMBL17923046 | 0.73 | ME2 (0.47) | ALDH1A1TRIM24TRIM33SMN1; SMN2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105722823-A | NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE | 科尔泰多公众股份公司 | 2016-06-29 | — | — | CN | disclosed |