Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.81 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.81 |
| ▸ | MEN1 | O00255 | 4/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.81 |
| ▸ | MAPT | P10636 | 3/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.81 |
| ▸ | HPGD | P15428 | 1/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.81 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | ELANE | P08246 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28787094 | 1.00 | ALDH1A1 (0.81) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| Nobiletin SCHEMBL29374681 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| Nobiletin SCHEMBL22092292 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| Nobiletin SCHEMBL30049859 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| Nobiletin SCHEMBL30049905 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| Nobiletin SCHEMBL244029 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| SCHEMBL25383379 | 0.85 | ALDH1A1 (0.82) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| SCHEMBL28787165 | 0.85 | ALDH1A1 (0.81) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| SCHEMBL29611717 | 0.85 | ALDH1A1 (0.81) | ALDH1A1ABCB1ABCG2MEN1KMT2A | |
| SCHEMBL12199167 | 0.83 | ALDH1A1 (0.77) | ALDH1A1ABCB1ABCG2MEN1KMT2A |
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-110498784-B | Nobiletin derivatives or pharmaceutically acceptable salts thereof, and preparation method and application thereof | 广东克冠达医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |