Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | PRKCA | P17252 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16395692 | 0.98 | TSHR (0.45) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL20360292 | 0.98 | TSHR (0.45) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL18279594 | 0.87 | TSHR (0.49) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL18279593 | 0.87 | TSHR (0.49) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL872053 | 0.83 | TSHR (0.59) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL10306568 | 0.82 | MEN1 (0.54) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL23521287 | 0.81 | MEN1 (0.52) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL27845852 | 0.81 | MEN1 (0.52) | TSHRTP53KMT2AMEN1PRKCA | |
| SCHEMBL28289467 | 0.79 | MEN1 (0.51) | TSHRTP53KMT2AMEN1PRKCA | |
| Benzoic Acid SCHEMBL1311679 | 0.78 | TSHR (0.46) | TSHRTP53KMT2AMEN1PRKCA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018126897-A1 | APPLICATION OF SODIUM 5-BROMO-2-(α-HYDROXYPENTYL) BENZOATE IN DRUGS TREATING CARDIOVASCULAR DISEASE | 郑州大学 | 2018-07-12 | — | — | WO | disclosed |