Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PER2 | O15055 | 1/20 | 0.36 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.36 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21992337 | 0.90 | MAOB (0.39) | MAOBHPGDPER2CRY1CRY2 | |
| SCHEMBL19962121 | 0.86 | CIT (0.38) | MAOBESR1ESR2PER2CRY1 | |
| SCHEMBL21993366 | 0.86 | MAOB (0.40) | MAOBHPGDCRY1CRY2ALDH1A1 | |
| SCHEMBL19999809 | 0.82 | MAOB (0.38) | MAOBHPGDGPR88MLYCD | |
| SCHEMBL19962120 | 0.82 | HPGD (0.38) | MAOBHPGDKMT2ALMNAGPR88 | |
| SCHEMBL19999803 | 0.80 | HPGD (0.36) | MAOBHPGDGPR88MLYCD | |
| SCHEMBL21993361 | 0.80 | HPGD (0.36) | MAOBHPGDALDH1A1KMT2ALMNA | |
| SCHEMBL21992634 | 0.78 | SMN1; SMN2 (0.39) | MAOBHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL19999802 | 0.78 | S1PR1 (0.41) | MAOBHPGDALDH1A1KMT2ATDP1 | |
| SCHEMBL21992124 | 0.77 | HPGD (0.35) | MAOBHPGDKMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |