Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11800306 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19MAPTCA1 | |
| SCHEMBL11800299 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19MAPTCA1 | |
| SCHEMBL2869906 | 0.80 | NFE2L2 (0.54) | MEN1KMT2ALMNATRPA1 | |
| SCHEMBL105258 | 0.80 | NFE2L2 (0.54) | MEN1KMT2ALMNATRPA1 | |
| SCHEMBL18714866 | 0.80 | APP (0.52) | CYP3A4CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL23623944 | 0.80 | TYR (0.54) | CYP2C9MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL9967765 | 0.80 | APP (0.48) | CYP3A4CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL14465008 | 0.80 | AHR (0.48) | CYP1A2 | |
| SCHEMBL9967711 | 0.80 | AHR (0.48) | CYP1A2 | |
| SCHEMBL29078901 | 0.80 | ALDH1A1 (0.52) | CYP3A4CYP2C9CYP2C19MAPTALDH1A1 |
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-20220105001-A1 | COMPOSITIONS AND DEVICES FOR CONTAINING MEDICAL FLUIDS | ICU MEDICAL, INC. | 2022-04-07 | — | — | US | disclosed |