Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 4/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7819853 | 0.63 | HTR2C (0.47) | CES2HTR2CALDH1A1HTR3EHTR3B | |
| SCHEMBL9070652 | 0.63 | HTR2C (0.44) | ADRB1CES2HTR2CALDH1A1HTR3E | |
| SCHEMBL1914919 | 0.62 | ADRB1 (1.00) | ADRB1HTR2CALDH1A1HTR3EHTR3B | |
| SCHEMBL503980 | 0.61 | CES2 (0.70) | CES2TACR1RXRARXRBRXRG | |
| SCHEMBL29115490 | 0.61 | CES2 (0.62) | CES2TACR1RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL30955834 | 0.61 | ADRB1 (0.96) | ADRB1HTR2CALDH1A1HTR3EHTR3B | |
| SCHEMBL440959 | 0.61 | CES2 (0.58) | ADRB1CES2RXRARXRBRXRG | |
| SCHEMBL28119413 | 0.60 | CES2 (0.67) | CES2TACR1RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL7485970 | 0.60 | CES2 (0.67) | CES2TACR1RXRARXRBRXRG | |
| SCHEMBL2269182 | 0.60 | TSHR (0.46) | ADRB1TACR1HTR2CTSHRSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | claimed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |