Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.43 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | TERT | O14746 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917083 | 1.00 | TSHR (0.50) | TSHRHPGDZDHHC20ZDHHC2THRB | |
| SCHEMBL6045859 | 1.00 | TSHR (0.50) | TSHRHPGDZDHHC20ZDHHC2THRB | |
| SCHEMBL6259527 | 1.00 | TSHR (0.50) | TSHRHPGDZDHHC20ZDHHC2THRB | |
| SCHEMBL4919084 | 0.98 | TSHR (0.52) | TSHRHPGDZDHHC20ZDHHC2THRB | |
| SCHEMBL6784539 | 0.92 | TSHR (0.53) | TSHRHPGDZDHHC20ZDHHC2THRB | |
| SCHEMBL767709 | 0.84 | — | — | |
| SCHEMBL865029 | 0.82 | TSHR (0.42) | TSHRHPGDALDH1A1CYP3A4LMNA | |
| SCHEMBL866142 | 0.82 | TSHR (0.42) | TSHRHPGDALDH1A1CYP3A4LMNA | |
| SCHEMBL866654 | 0.82 | TSHR (0.42) | TSHRHPGDALDH1A1CYP3A4LMNA | |
| SCHEMBL865292 | 0.82 | TSHR (0.42) | TSHRHPGDALDH1A1CYP3A4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1341871-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002046330-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2002-06-13 | — | — | WO | disclosed |