Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19623999 | 0.99 | TSHR (0.51) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL13400991 | 0.99 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL3478345 | 0.96 | TSHR (0.49) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL18699716 | 0.96 | TSHR (0.49) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL13400995 | 0.96 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL3477457 | 0.93 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL21558864 | 0.92 | TSHR (0.45) | TSHRHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL3478263 | 0.91 | TSHR (0.53) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL16133529 | 0.91 | TSHR (0.53) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL13400992 | 0.88 | TSHR (0.53) | TSHRHPGDALDH1A1CYP3A4HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170044436-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| US-20170044436-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |