Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL28542836 | 0.87 | LMNA (0.41) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL22605826 | 0.82 | ALDH1A1 (0.38) | TSHRALDH1A1CYP1A2KMT2A | |
| SCHEMBL9030249 | 0.82 | TSHR (0.60) | TSHRLMNAALDH1A1KMT2A | |
| SCHEMBL5769222 | 0.81 | CAMK2A (0.37) | TSHRCAMK2AALDH1A1GPR84FFAR1 | |
| SCHEMBL19925 | 0.79 | SLC22A6 (0.65) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL1289888 | 0.79 | SLC22A6 (0.65) | TSHRSLC22A6LMNANFKB1PMP22 | |
| SCHEMBL4643776 | 0.79 | ALDH1A1 (0.30) | TSHRALDH1A1 | |
| SCHEMBL27501999 | 0.79 | FAAH (0.47) | LMNAALDH1A1CYP1A2KMT2A | |
| SCHEMBL3185213 | 0.79 | TSHR (0.40) | TSHRALDH1A1KMT2A | |
| SCHEMBL28804497 | 0.78 | CYP2D6 (0.41) | TSHRLMNANFKB1ALDH1A1GABRR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102858159-A | Chemical compounds | GLAXOSMITHKLINE LLC | 2013-01-02 | — | — | CN | disclosed |
| EP-1648873-A4 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | NEUREN PHARMACEUTICALS LTD (NZ) | 2008-06-25 | — | — | EP | disclosed |
| EP-1648873-A2 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | Neuronz Limited (NZ) | 2006-04-26 | — | — | EP | disclosed |
| WO-2004084809-A2 | NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE | NEUREN PHARMACEUTICALS LTD. (NZ) | 2004-10-07 | — | — | WO | disclosed |