Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10665272 | 0.78 | MMP1 (0.51) | KDM4EALDH1A1APPDRD2DRD4 | |
| SCHEMBL578271 | 0.78 | HRH3 (0.63) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8765689 | 0.77 | ESR1 (0.59) | SLC6A2SLC6A3KDM4EALDH1A1APP | |
| SCHEMBL8765685 | 0.77 | ESR1 (0.41) | CXCR1KDM4EALDH1A1ESR1ESR2 | |
| SCHEMBL6784753 | 0.77 | KDM4E (0.69) | KDM4EALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL9773251 | 0.77 | HRH3 (0.61) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12456886 | 0.76 | LTA4H (0.53) | SLC6A2SLC6A4CXCR1TAAR1ALDH1A1 | |
| SCHEMBL23475011 | 0.74 | ESR1 (0.40) | CXCR1KDM4EALDH1A1ESR1ESR2 | |
| SCHEMBL24312923 | 0.74 | KMT2A (0.45) | CXCR1KDM4EESR1ESR2POLB | |
| SCHEMBL8995206 | 0.74 | ESR1 (0.40) | CXCR1KDM4EALDH1A1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |