Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4097608 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL28150167 | 0.79 | CA1 (0.56) | ALDH1A1TDP1ADRA2BPTGS1SMN1; SMN2 | |
| SCHEMBL2895269 | 0.78 | TSHR (0.39) | ALDH1A1TDP1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL4097610 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL28353458 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL3172368 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TDP1PTGS1KDM4EMAPT | |
| SCHEMBL11653179 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL29390378 | 0.71 | — | — | |
| SCHEMBL14598 | 0.71 | — | — | |
| SCHEMBL28351226 | 0.70 | CA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106084659-A | A kind of laboratory table top special fireproof shock resistance physics and chemistry sheet material | 安徽东冠器械设备有限公司 | 2016-11-09 | — | — | CN | disclosed |