Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.62 |
| ▸ | MAOB | P27338 | 3/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | HTR5A | P47898 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060273 | 0.89 | TAAR1 (0.69) | MAOBTAAR1HTR1AABCB1DRD2 | |
| SCHEMBL17779984 | 0.88 | LTA4H (0.56) | BACE1MAOBABCB1SIGMAR1 | |
| SCHEMBL14382711 | 0.86 | BACE1 (0.58) | BACE1MAOBTAAR1SIGMAR1CHRM2 | |
| Hydrochloric Acid SCHEMBL3841387 | 0.83 | MAOB (0.79) | BACE1MAOBTAAR1SIGMAR1CHRM2 | |
| SCHEMBL723511 | 0.82 | TAAR1 (0.77) | TAAR1HTR1AABCB1DRD2SIGMAR1 | |
| SCHEMBL29740761 | 0.82 | CYP1A1 (0.64) | MAOBABCB1NR1H2NR1H3CYP1A1 | |
| SCHEMBL458391 | 0.82 | CYP1A1 (0.64) | MAOBABCB1NR1H2NR1H3CYP1A1 | |
| SCHEMBL30080050 | 0.82 | TAAR1 (0.77) | TAAR1HTR1AABCB1DRD2SIGMAR1 | |
| SCHEMBL29942020 | 0.82 | BACE1 (0.66) | BACE1MAOBHTR1AABCB1DRD2 | |
| SCHEMBL18015799 | 0.81 | MAOB (0.56) | BACE1MAOBTAAR1HTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9353089-B2 | Compositions and methods for the treatment of malaria | SAINT LOUIS UNIVERSITY (US) | 2016-05-31 | — | — | US | disclosed |