Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30317850 | 0.84 | LMNA (0.47) | GID4MAPTNPC1KDM1AKDM4E | |
| SCHEMBL13350266 | 0.82 | SLC6A2 (0.43) | MAOAMAOBKDM1A | |
| SCHEMBL30317872 | 0.79 | CYP19A1 (0.41) | MAPTSMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL30317873 | 0.79 | NOS3 (0.39) | MAPTSMN1; SMN2RAB9AMAOBKDM1A | |
| SCHEMBL10645737 | 0.79 | KDM1A (0.38) | MAOANPC1RAB9AMAOBKDM1A | |
| SCHEMBL30317888 | 0.79 | NOS3 (0.39) | MAOANPC1RAB9ATP53MAOB | |
| SCHEMBL30317856 | 0.76 | FAAH (0.35) | — | |
| SCHEMBL11133022 | 0.75 | CA1 (0.38) | MAOANPC1RAB9AMAOBKDM1A | |
| SCHEMBL4739221 | 0.75 | MAOB (0.35) | MAOAMAOBKDM1A | |
| SCHEMBL30317894 | 0.75 | HTR2C (0.41) | PTGS2CA4 |
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 |