Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.68 |
| ▸ | RAB9A | P51151 | 7/20 | 0.68 |
| ▸ | MEN1 | O00255 | 5/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.68 |
| ▸ | RELA | Q04206 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7567000 | 0.95 | ALDH2 (0.72) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7588164 | 0.94 | MEN1 (0.72) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7565177 | 0.91 | SMN1; SMN2 (0.60) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| 4',7-Dimethoxy-5-Hydroxygenistein SCHEMBL572108 | 0.81 | RAB9A (1.00) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7571074 | 0.80 | KDM4E (0.72) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8496494 | 0.80 | ALDH2 (0.64) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6142578 | 0.80 | SMN1; SMN2 (0.67) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8496543 | 0.79 | MEN1 (0.64) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| Prunetin SCHEMBL29612430 | 0.79 | ALDH2 (1.00) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| Prunetin SCHEMBL73420 | 0.79 | ALDH2 (1.00) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002081491-A2 | NEW GENISTEIN DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | INSTYTUT FARMACEUTYCZNY (PL) | 2002-10-17 | — | — | WO | disclosed |