Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 2/20 | 0.37 |
| ▸ | TGM2 | P21980 | 2/20 | 0.37 |
| ▸ | TGM1 | P22735 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.35 |
| ▸ | ATXN2 | Q99700 | 4/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4678011 | 0.84 | IDO1 (0.48) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4678004 | 0.83 | IDO1 (0.49) | ALDH1A1 | |
| SCHEMBL4681355 | 0.82 | F13A1 (0.52) | F13A1TGM2TGM1TACR1GAA | |
| Hydrochloric Acid SCHEMBL4681749 | 0.81 | F13A1 (0.51) | F13A1TGM2TGM1TACR1GAA | |
| SCHEMBL4682405 | 0.79 | ENPP2 (0.52) | TACR1ENPP2ATXN2HTR2CHTR2B | |
| SCHEMBL542687 | 0.79 | EPHX2 (0.45) | F13A1TGM2TGM1EPHX2ENPP2 | |
| Hydrochloric Acid SCHEMBL4682398 | 0.78 | ENPP2 (0.51) | TACR1ENPP2ATXN2HTR2CHTR2B | |
| SCHEMBL543356 | 0.78 | EPHX2 (0.39) | F13A1TGM2TGM1EPHX2TACR1 | |
| SCHEMBL543599 | 0.76 | MGLL (0.43) | F13A1TGM2TGM1ENPP2ATXN2 | |
| SCHEMBL4680752 | 0.75 | ALDH1A1 (0.53) | PTGDR2HTR2CHTR2BGRIN2BALDH1A1 |
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 |