Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL5775772 | 0.82 | ALDH1A1 (0.41) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| SCHEMBL872143 | 0.81 | HCAR2 (0.61) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| SCHEMBL27559189 | 0.80 | ESR1 (0.64) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL27871396 | 0.79 | TDP1 (0.42) | HCAR2ESR1ESR2TDP1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL27825143 | 0.79 | HCAR2 (0.59) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| Hydrochloric Acid SCHEMBL11850813 | 0.79 | HCAR2 (0.59) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| SCHEMBL9671422 | 0.78 | ALDH1A1 (0.45) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| SCHEMBL16242478 | 0.78 | AOC3 (0.41) | HCAR2ESR1ESR2TDP1AKR1B10 | |
| SCHEMBL5652374 | 0.78 | TSHR (0.50) | HCAR2ESR1TDP1AKR1B10AKR1B1 | |
| SCHEMBL18347557 | 0.78 | ESR1 (0.61) | ESR1ESR2AKR1B10AKR1B1NPC1 |
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-2111553-A2 | OPTICAL BIOSENSORS | Carnegie Mellon University (US) | 2009-10-28 | — | — | EP | disclosed |
| WO-2008092041-A2 | OPTICAL BIOSENSORS | CARNEGIE MELLON UNIVERSITY (US) | 2008-07-31 | — | — | WO | disclosed |