Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9366977 | 0.72 | MAOA (0.46) | ALDH1A1LMNASMN1; SMN2MAOACA12 | |
| SCHEMBL1041307 | 0.69 | CA12 (0.43) | ALDH1A1LMNASMN1; SMN2MAOACYP2A6 | |
| SCHEMBL15842423 | 0.68 | KDM4E (0.53) | ALDH1A1LMNASMN1; SMN2MAOACA12 | |
| SCHEMBL546445 | 0.68 | CYP2A6 (0.59) | ALDH1A1LMNASMN1; SMN2MAOACYP2A6 | |
| SCHEMBL7962545 | 0.67 | CYP2A6 (0.35) | ALDH1A1SMN1; SMN2MAOACYP2A6CA9 | |
| SCHEMBL5346812 | 0.64 | ALDH1A1 (0.59) | ALDH1A1LMNASMN1; SMN2CA12CA9 | |
| SCHEMBL21295719 | 0.63 | ELANE (0.33) | ALDH1A1MAOACYP2A6CA9CA1 | |
| Coumarin SCHEMBL8214682 | 0.63 | CA12 (0.80) | ALDH1A1LMNASMN1; SMN2CYP2A6CA12 | |
| SCHEMBL31485737 | 0.62 | ALDH1A1 (0.59) | ALDH1A1LMNAMAOACYP2A6MCL1 | |
| SCHEMBL17166803 | 0.62 | CYP2A6 (0.43) | ALDH1A1CYP2A6CA9CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998474-B1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-07 | — | — | EP | disclosed |
| EP-0998474-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999003855-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-01-28 | — | — | WO | disclosed |