Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | UBE2N | P61088 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31348197 | 0.83 | CNR1 (0.33) | OPRM1SIGMAR1DRD2DRD3ADRB1 | |
| SCHEMBL31348215 | 0.81 | ALDH1A1 (0.37) | ALDH1A1OPRM1SIGMAR1KDM4EMMP2 | |
| SCHEMBL31348264 | 0.81 | OPRL1 (0.45) | ALDH1A1OPRM1SIGMAR1KDM4EMMP2 | |
| SCHEMBL31348127 | 0.75 | HTR1A (0.42) | ALDH1A1KDM4EDRD2DRD3MAPK1 | |
| SCHEMBL31348249 | 0.75 | HTR1A (0.56) | DRD2HTR1A | |
| SCHEMBL9725137 | 0.65 | HTR1A (0.55) | OPRM1LMNADRD2DRD3HTR1A | |
| SCHEMBL31348261 | 0.65 | SCN1A (0.43) | ALDH1A1MMP2MMP9DRD2DRD3 | |
| SCHEMBL15779861 | 0.65 | HTR1A (0.64) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL17578648 | 0.64 | HTR1A (0.64) | ALDH1A1MAPTLMNADRD3HTR1A | |
| SCHEMBL6163213 | 0.64 | DRD2 (0.69) | ALDH1A1OPRM1KDM4EMAOBSMN1; SMN2 |
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-2025006982-A1 | POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2025-01-02 | — | — | WO | disclosed |