Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.46 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ABAT | P80404 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL543663 | 0.91 | ENPP2 (0.55) | TACR1ENPP2ATXN2SLC6A4 | |
| SCHEMBL543007 | 0.87 | MEN1 (0.54) | TACR1ENPP2ATXN2SIGMAR1SLC6A4 | |
| SCHEMBL542664 | 0.86 | ENPP2 (0.52) | TACR1ENPP2ATXN2 | |
| Hydrochloric Acid SCHEMBL4680832 | 0.86 | MEN1 (0.53) | TACR1ENPP2ATXN2SIGMAR1SLC6A4 | |
| SCHEMBL543132 | 0.86 | TACR1 (0.49) | TACR1ENPP2ATXN2HTR2AABAT | |
| Hydrochloric Acid SCHEMBL4681490 | 0.85 | ENPP2 (0.51) | TACR1ENPP2ATXN2 | |
| SCHEMBL543356 | 0.82 | EPHX2 (0.39) | TACR1ENPP2ATXN2HTR2A | |
| SCHEMBL5535703 | 0.81 | TACR1 (0.48) | TACR1ENPP2ATXN2HTR2AABAT | |
| SCHEMBL5543476 | 0.81 | TACR1 (0.48) | TACR1ENPP2ATXN2HTR2AABAT | |
| SCHEMBL16129753 | 0.80 | SCN9A (0.39) | TACR1ENPP2ATXN2HTR2AABAT |
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-2414330-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-02-08 | — | — | EP | claimed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | claimed |
| EP-2414330-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |