Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14898590 | 0.96 | CES1 (0.50) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL1115450 | 0.95 | TSHR (0.52) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL13039014 | 0.95 | TSHR (0.52) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL13814881 | 0.93 | CES1 (0.52) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL4307712 | 0.91 | CES1 (0.55) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL13039015 | 0.91 | TSHR (0.48) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL663947 | 0.91 | TSHR (0.48) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL1316405 | 0.91 | CES1 (0.55) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL17563456 | 0.91 | TSHR (0.48) | TSHRCES1THRBMEN1HTT | |
| SCHEMBL1317329 | 0.91 | CES1 (0.55) | TSHRCES1THRBMEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-8431748-B2 | Low protonation constant hydroxy acids | BWE I MALMO AB (SE) | 2013-04-30 | — | — | US | disclosed |