Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL2989191 | 0.94 | TSHR (0.49) | TSHRSMN1; SMN2HPGDCYP2C19ALDH1A1 | |
| SCHEMBL2982591 | 0.93 | TSHR (0.50) | TSHRSMN1; SMN2HPGDCYP2C19ALDH1A1 | |
| SCHEMBL2989357 | 0.82 | TSHR (0.46) | TSHRSMN1; SMN2HPGDCYP2C19ALDH1A1 | |
| SCHEMBL2989327 | 0.82 | TSHR (0.48) | TSHRSMN1; SMN2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL5243972 | 0.82 | TSHR (0.48) | TSHRSMN1; SMN2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL4873013 | 0.81 | SMN1; SMN2 (0.47) | TSHRSMN1; SMN2CYP2C19ALDH1A1KMT2A | |
| SCHEMBL4867919 | 0.76 | CYP1A2 (0.48) | TSHRALDH1A1KMT2AMAPT | |
| SCHEMBL2985459 | 0.75 | POLB (0.59) | SMN1; SMN2HPGDCYP2C19ALDH1A1KMT2A | |
| SCHEMBL2983320 | 0.75 | POLB (0.59) | SMN1; SMN2HPGDCYP2C19ALDH1A1KMT2A | |
| SCHEMBL2985406 | 0.75 | TSHR (0.54) | TSHRSMN1; SMN2HPGDNPSR1RAB9A |
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-1747191-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005110975-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |