Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19075520 | 0.87 | SIGMAR1 (0.49) | ALDH1A1HTTSIGMAR1DRD3MGAT2 | |
| SCHEMBL19223233 | 0.83 | ALDH1A1 (0.57) | ALDH1A1HTTSIGMAR1DRD4TMEM97 | |
| SCHEMBL13374337 | 0.83 | BCHE (0.55) | MGAT2ACHE | |
| SCHEMBL13374365 | 0.81 | MEN1 (0.55) | ALDH1A1SIGMAR1MGAT2KDM4EACHE | |
| SCHEMBL12437243 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SIGMAR1ACHE | |
| SCHEMBL13375738 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HTTSIGMAR1DRD3DRD2 | |
| SCHEMBL3144826 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HTTSIGMAR1DRD3DRD2 | |
| SCHEMBL31012206 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HTTSIGMAR1DRD3DRD2 | |
| SCHEMBL1022187 | 0.79 | SIGMAR1 (0.60) | ALDH1A1HTTSIGMAR1DRD3DRD2 | |
| Hydrochloric Acid SCHEMBL4033471 | 0.78 | ALDH1A1 (0.63) | ALDH1A1HTTSIGMAR1DRD3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8288381-B2 | N-9 substituted purine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-10-16 | — | — | US | disclosed |