Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4400848 | 0.98 | CES2 (0.53) | CES2ALDH1A1IDO1PTGS1NPSR1 | |
| SCHEMBL642823 | 0.84 | CES2 (0.56) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL8048477 | 0.82 | CES2 (0.55) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL2853839 | 0.80 | KDM4E (0.42) | ALDH1A1KMT2A | |
| SCHEMBL524006 | 0.79 | CES2 (0.60) | CES2PTGS1SRD5A2TSHRMAPK1 | |
| SCHEMBL11553879 | 0.79 | CES2 (0.51) | CES2ALDH1A1NPSR1P2RX1LMNA | |
| SCHEMBL29646460 | 0.79 | GAA (0.68) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL1127884 | 0.79 | GAA (0.68) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| Hydrochloric Acid SCHEMBL1085054 | 0.78 | CES2 (0.58) | CES2SRD5A2TSHRMAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL1199080 | 0.77 | GAA (0.67) | CES2ALDH1A1PTGS1NPSR1P2RX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |
| CN-101321525-A | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-12-10 | — | — | CN | disclosed |
| WO-2007011721-A1 | INHIBITORS OF MITOTIC KINESIN | KALYPSYS, INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| US-3962240-A | PROCESS FOR THE PREPARATION OF FURO(3,4-E)-AS-TRIAZINES | SANDOZ, INC. (US) | 1976-06-08 | — | — | US | disclosed |