Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9968895 | 0.83 | GABRA1 (0.41) | CYP1A2CYP3A4IDO1LMNASLC6A2 | |
| SCHEMBL2889829 | 0.80 | PDK2 (0.36) | ALDH1A1LMNAKMT2APDK2 | |
| SCHEMBL23489760 | 0.80 | PDK2 (0.36) | ALDH1A1LMNAKMT2APDK2 | |
| SCHEMBL6314764 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL10178554 | 0.78 | TSHR (0.52) | ALDH1A1PDK2 | |
| SCHEMBL8285923 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL13795689 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL27651476 | 0.77 | PNMT (0.43) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL25066278 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL4587380 | 0.76 | KMT2A (0.47) | SLC6A2SLC6A4SLC6A3KMT2ATAAR1 |
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-1590666-B1 | COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS | GENENTECH INC (US) | 2008-07-09 | — | — | EP | claimed |