Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3092834 | 0.99 | ALDH1A1 (0.48) | ALDH1A1KDM4EPOLBCYP1A2CYP2D6 | |
| SCHEMBL5166659 | 0.90 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL3079189 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5165645 | 0.88 | ALDH1A1 (0.53) | ALDH1A1KDM4EL3MBTL1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL3092375 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1KMT2AMEN1 | |
| SCHEMBL5166997 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4EPOLBL3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL3079691 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EPOLBL3MBTL1KMT2A | |
| SCHEMBL5166771 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4ECYP1A2CYP2D6L3MBTL1 | |
| Hydrochloric Acid SCHEMBL3098400 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4ECYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL5166618 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KDM4EL3MBTL1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1771417-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-04-11 | — | — | EP | claimed |
| WO-2006010577-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-02 | — | — | WO | claimed |
| EP-1771417-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006010577-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-02 | — | — | WO | disclosed |