Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4086253 | 0.84 | CES2 (0.69) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL10672352 | 0.83 | CES2 (0.62) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL4854791 | 0.83 | CES2 (0.74) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL7594270 | 0.83 | CES2 (0.62) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL10842400 | 0.82 | CES2 (0.67) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL17134217 | 0.80 | CES2 (0.64) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL3176325 | 0.80 | CES2 (1.00) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL8865659 | 0.80 | CES2 (0.64) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL1237189 | 0.80 | SRD5A2 (0.79) | CES2SRD5A2LMNANPSR1P2RX1 | |
| SCHEMBL7447900 | 0.80 | CES2 (0.64) | CES2SRD5A2LMNANPSR1P2RX1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |