Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | ACHE | P22303 | 3/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL31022791 | 0.98 | CYP1A1 (0.72) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8062088 | 0.92 | CYP1A1 (0.60) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL14697029 | 0.89 | CYP1A1 (0.64) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL14696945 | 0.88 | CYP3A4 (0.76) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4161823 | 0.86 | ABCB1 (0.67) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8052929 | 0.85 | ABCB1 (0.69) | CYP1A1CYP1A2ALDH1A1ACHEABCB1 | |
| SCHEMBL8068919 | 0.85 | ABCB1 (0.73) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4649969 | 0.85 | ABCB1 (0.73) | CYP1A1CYP1A2ALDH1A1ACHEABCB1 | |
| SCHEMBL7606782 | 0.83 | FYN (0.61) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL31387496 | 0.83 | CYP1A1 (0.62) | CYP1A1CYP1A2KDM4EALDH1A1HSD17B10 |
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-6025387-A | Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease | DONG A PHARMACEUTICAL CO., LTD. (KR) | 2000-02-15 | — | — | US | disclosed |