Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | EED | O75530 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30317862 | 0.82 | CYP11B2 (0.44) | CYP19A1CYP11B2CYP11B1MAPTTRPA1 | |
| SCHEMBL10645737 | 0.79 | KDM1A (0.38) | CYP19A1CYP11B2CYP11B1NPC1RAB9A | |
| SCHEMBL30317873 | 0.79 | NOS3 (0.39) | MAPTNPSR1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL30317888 | 0.79 | NOS3 (0.39) | NPC1TP53RAB9AKDM4EMAPK1 | |
| SCHEMBL30317867 | 0.79 | GID4 (0.42) | RECQLMAPTSMN1; SMN2NPC1TP53 | |
| SCHEMBL30317851 | 0.79 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL30317880 | 0.79 | FAAH (0.32) | — | |
| SCHEMBL9887191 | 0.78 | MAPT (0.36) | CYP19A1CYP11B2CYP11B1MAPTNPSR1 | |
| SCHEMBL30317856 | 0.76 | FAAH (0.35) | — | |
| SCHEMBL4739221 | 0.76 | MAOB (0.35) | CYP19A1TRPA1MEN1KMT2A |
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-110680813-B | Use of naphthoquinone derivatives as IDO1 and/or TDO inhibitors | 北京大学 | 2023-03-10 | — | — | CN | disclosed |