Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PPM1B | O75688 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5520352 | 1.00 | TP53 (0.41) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL358775 | 0.79 | GAA (0.47) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL15200264 | 0.79 | GAA (0.47) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL17118123 | 0.79 | TP53 (0.46) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL5543322 | 0.79 | GAA (0.47) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL14305169 | 0.79 | TP53 (0.46) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL17834052 | 0.79 | ANPEP (0.42) | TP53ALDH1A1GAASMN1; SMN2CHRNB2 | |
| SCHEMBL244740 | 0.78 | — | — | |
| SCHEMBL2948892 | 0.78 | TP53 (0.56) | TP53ALDH1A1GAASMN1; SMN2PPM1B | |
| SCHEMBL2200767 | 0.78 | TP53 (0.56) | TP53ALDH1A1GAASMN1; SMN2PPM1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103502190-B | Novel alicyclic alcohol | MITSUBISHI GAS CHEMICAL CO | 2015-06-17 | — | — | CN | disclosed |
| EP-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| CN-103502190-A | Novel alicyclic alcohol | MITSUBISHI GAS CHEMICAL CO | 2014-01-08 | — | — | CN | disclosed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |