Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3136867 | 0.85 | THRB (0.55) | TGM2THRBTHRAALDH1A1KDM4E | |
| SCHEMBL16740569 | 0.83 | TSHR (0.48) | TSHRALDH1A1CYP2C19MAPTHPGD | |
| SCHEMBL6667989 | 0.81 | TSHR (0.49) | TSHRALDH1A1LOXL2CYP2C19MAPK1 | |
| SCHEMBL16740573 | 0.78 | THRA (0.47) | TGM2THRBTHRAALDH1A1KDM4E | |
| SCHEMBL8161806 | 0.78 | THRA (0.47) | THRBTHRAALDH1A1CYP2C19MAPT | |
| SCHEMBL16740674 | 0.78 | TGM2 (0.47) | TGM2THRBTHRAALDH1A1CYP2C19 | |
| SCHEMBL11092024 | 0.77 | CYP3A4 (0.58) | THRBTHRAALDH1A1CYP2C19MAPK1 | |
| SCHEMBL15059105 | 0.77 | ALDH1A1 (0.56) | TSHRTHRBALDH1A1LOXL2CYP2C19 | |
| SCHEMBL9422511 | 0.76 | THRB (0.54) | TSHRTHRBTHRAALDH1A1KDM4E | |
| SCHEMBL1627332 | 0.75 | TSHR (0.53) | TSHRALDH1A1LOXL2KDM4ECYP2C19 |
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-2015075051-A1 | ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C | UNIVERSITAET DES SAARLANDES (DE) | 2015-05-28 | — | — | WO | disclosed |