Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2738529 | 0.86 | SLC18A3 (0.44) | KCNA3MITFALDH1A1HTTRAB9A | |
| SCHEMBL12028792 | 0.86 | NTSR1 (0.45) | ALDH1A1SIGMAR1CYP3A4TSHR | |
| SCHEMBL8217369 | 0.86 | NTSR1 (0.45) | ALDH1A1SIGMAR1CYP3A4TSHR | |
| SCHEMBL12323877 | 0.86 | PAX8 (0.39) | KCNA3MITFALDH1A1HTTRAB9A | |
| SCHEMBL12323915 | 0.84 | ACACB (0.39) | KCNA3MITFALDH1A1HTTRAB9A | |
| SCHEMBL12292976 | 0.82 | HTR2A (0.35) | KCNA3HTR2AOPRM1OPRK1CYP2D6 | |
| SCHEMBL8225848 | 0.82 | TACR2 (0.38) | KCNA3ALDH1A1OPRK1CYP2D6HTR7 | |
| SCHEMBL12028860 | 0.81 | ALDH1A1 (0.42) | MITFALDH1A1HTTRAB9AGFER | |
| SCHEMBL2738777 | 0.80 | TACR2 (0.47) | ALDH1A1OPRK1CYP2D6HTR7 | |
| SCHEMBL2738488 | 0.78 | OPRK1 (0.43) | OPRM1OPRD1OPRK1CYP2D6 |
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-2402325-A2 | Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors | Array Biopharma, Inc. (US) | 2012-01-04 | — | — | EP | disclosed |