Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL23936916 | 0.82 | ALDH1A1 (0.36) | TTKALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL23936955 | 0.82 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| SCHEMBL21214295 | 0.76 | DRD2 (0.35) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL21196725 | 0.75 | DRD2 (0.35) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL23936941 | 0.72 | BRD4 (0.33) | MAPK1 | |
| SCHEMBL21214187 | 0.66 | DRD2 (0.34) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| SCHEMBL21214139 | 0.66 | DRD2 (0.35) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL21196618 | 0.66 | DRD2 (0.35) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL21196661 | 0.66 | DRD2 (0.33) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| SCHEMBL21214161 | 0.66 | DRD2 (0.35) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 |
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-3475277-B1 | ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF | BIOIMICS AB (SE) | 2021-10-20 | — | — | EP | disclosed |