Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | NAAA | Q02083 | 2/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311246 | 0.95 | DRD2 (0.35) | SMN1; SMN2ALDH1A1DRD2DRD3SIGMAR1 | |
| SCHEMBL7305758 | 0.92 | SIGMAR1 (0.36) | DRD2DRD3SIGMAR1 | |
| SCHEMBL7308518 | 0.91 | CHRM2 (0.36) | SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1 | |
| SCHEMBL7315805 | 0.90 | SMN1; SMN2 (0.35) | SMN1; SMN2TP53KDM4EALDH1A1DRD2 | |
| SCHEMBL7301320 | 0.89 | DRD2 (0.33) | DRD2DRD3CHRM2CHRM1GNAI3 | |
| SCHEMBL7306902 | 0.88 | SMN1; SMN2 (0.40) | SMN1; SMN2TP53KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7311514 | 0.87 | ACHE (0.42) | DRD2CHRM4DRD4 | |
| SCHEMBL7315016 | 0.86 | CHRM2 (0.38) | SIGMAR1CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL7315892 | 0.86 | S1PR5 (0.36) | SMN1; SMN2DRD2DRD3CHRM2CHRM1 | |
| SCHEMBL7310298 | 0.85 | HTR4 (0.32) | SMN1; SMN2DRD2DRD3SIGMAR1CHRM2 |
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-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |