Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23855444 | 0.78 | — | — | |
| SCHEMBL11608049 | 0.78 | KDM4E (0.53) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL31519371 | 0.74 | PSMD14 (0.30) | — | |
| SCHEMBL711288 | 0.74 | CD44 (0.46) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL81185 | 0.73 | KDM4E (0.65) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL29508342 | 0.73 | KDM4E (0.65) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL30979203 | 0.73 | KDM4E (0.65) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL12592940 | 0.72 | CYP1A2 (0.68) | ALDH1A1KDM4EMAPTGAACYP3A4 | |
| SCHEMBL28600602 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1ADRA2BPTGS1KDM4E | |
| SCHEMBL6293125 | 0.70 | KDM4E (0.62) | ALDH1A1TDP1ADRA2BPTGS1KDM4E |
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-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | disclosed |
| US-20040152862-A1 | Optical resins and applications thereof | HITACHI CHEMICAL CO., LTD. (JP) | 2004-08-05 | — | — | US | disclosed |