Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7559302 | 0.91 | TSHR (0.52) | TSHRTP53CA1CA2LMNA | |
| SCHEMBL1419943 | 0.88 | TSHR (0.40) | TSHRTP53CA1CA2LMNA | |
| SCHEMBL5588759 | 0.88 | ALDH1A1 (0.46) | TSHRTP53CA1CA2LMNA | |
| Guaiacol SCHEMBL3959510 | 0.83 | TSHR (0.51) | TSHRTP53CA1CA2LMNA | |
| SCHEMBL7596823 | 0.81 | TSHR (0.50) | TSHRTP53CA1CA2LMNA | |
| SCHEMBL5587552 | 0.80 | LMNA (0.48) | TSHRTP53CA1CA2LMNA | |
| SCHEMBL14017865 | 0.80 | CYP1A2 (0.44) | TSHRTP53LMNAPPARGPPARA | |
| SCHEMBL10869047 | 0.80 | MCHR1 (0.48) | TSHRTP53CA1CA2LMNA | |
| Anisole SCHEMBL28132565 | 0.80 | TSHR (0.40) | TSHRTP53CA1CA2PPARG | |
| SCHEMBL11229328 | 0.79 | TSHR (0.44) | TSHRTP53CA1CA2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101511780-A | 4-trimethylammonium-3-aminobutyrate and 4-trimethyl -3-aminobutyrate derivatives as CPT-inhibitors | SIGMA TAU IND FARMACEUTI (IT) | 2009-08-19 | — | — | CN | disclosed |