Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 8/20 | 0.52 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.51 |
| ▸ | AHR | P35869 | 3/20 | 0.49 |
| ▸ | CMA1 | P23946 | 2/20 | 0.49 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzamidine SCHEMBL4399664 | 0.90 | SMYD3 (0.45) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL4394998 | 0.88 | SMYD3 (0.52) | SMYD3AHRHDAC3EPHX2 | |
| Hydrochloric Acid SCHEMBL4399720 | 0.87 | SMYD3 (0.51) | SMYD3AHRHDAC3EPHX2 | |
| SCHEMBL4398573 | 0.86 | AHR (0.54) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL30760741 | 0.79 | SMYD3 (0.58) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL3194345 | 0.79 | SMYD3 (0.58) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| Hydrochloric Acid SCHEMBL29528151 | 0.78 | SMYD3 (0.57) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL29713338 | 0.76 | TDP2 (0.66) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL398818 | 0.76 | TDP2 (0.66) | SMYD3CRBNAHRCMA1EIF2AK2 | |
| SCHEMBL24124675 | 0.74 | AHR (0.59) | SMYD3CRBNAHRCMA1EIF2AK2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |