Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222675 | 0.81 | TSHR (0.53) | TDP1POLBSMN1; SMN2KDM4ELMNA | |
| SCHEMBL11706325 | 0.79 | CA12 (0.45) | KDM4ELMNACA12CA1CA2 | |
| SCHEMBL6676941 | 0.79 | TRPA1 (0.47) | HDAC6TDP1POLBSMN1; SMN2KDM4E | |
| SCHEMBL719657 | 0.78 | DGAT1 (0.54) | SMN1; SMN2LMNACA12CA1CA2 | |
| SCHEMBL19203928 | 0.78 | CA12 (0.50) | LMNAHTTCA12CA1CA2 | |
| SCHEMBL367075 | 0.78 | TSHR (0.57) | TDP1POLBSMN1; SMN2NPSR1CA12 | |
| Hydrochloric Acid SCHEMBL31426389 | 0.77 | DGAT1 (0.53) | SMN1; SMN2LMNACA12CA1CA2 | |
| SCHEMBL1353042 | 0.77 | CA12 (0.54) | POLBSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL6675739 | 0.77 | SMN1; SMN2 (0.44) | TDP1POLBSMN1; SMN2KDM4ELMNA | |
| SCHEMBL927276 | 0.76 | CA12 (0.70) | LMNATP53CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |