Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL846211 | 0.86 | CYP1A2 (0.68) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL846210 | 0.86 | CYP1A2 (0.68) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23082317 | 0.84 | TRPV1 (0.67) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2224514 | 0.81 | CYP1A2 (0.72) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12993089 | 0.81 | CYP1A2 (0.72) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4890740 | 0.81 | CA12 (0.69) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4890745 | 0.81 | CA12 (0.69) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL26382466 | 0.81 | CYP1A2 (1.00) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23082434 | 0.80 | TRPV1 (0.62) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL23082360 | 0.80 | TRPV1 (0.62) | CYP1A2TRPV1SMN1; SMN2NPC1RAB9A |
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-108794474-B | Evodiamine derivative with multi-target antitumor activity and preparation method and application thereof | 中国人民解放军第二军医大学 | 2022-03-18 | — | — | CN | disclosed |