Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | XDH | P47989 | 2/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | KDM1A | O60341 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28589889 | 0.89 | TAS2R31 (0.64) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL30865912 | 0.89 | TAS2R31 (0.64) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL905614 | 0.82 | NPC1 (0.73) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL16894619 | 0.82 | CYP19A1 (0.50) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL30873340 | 0.82 | CYP19A1 (0.50) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL31065850 | 0.82 | CYP19A1 (0.50) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL30912310 | 0.81 | ABCG2 (0.58) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL5857357 | 0.81 | ALDH1A1 (0.76) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL16894644 | 0.81 | ABCG2 (0.58) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 | |
| SCHEMBL8063257 | 0.80 | CYP1A1 (0.73) | CYP19A1CYP3A4HPGDALDH1A1HSD17B10 |
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 |