Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17290956 | 0.80 | KMT2A (0.51) | CASP3NPSR1ALDH1A1KDM4ETSHR | |
| SCHEMBL3054683 | 0.80 | CA12 (0.55) | CASP3ALDH1A1KDM4ELMNARXFP1 | |
| SCHEMBL17290492 | 0.78 | CASP3 (0.46) | CASP3NPSR1ALDH1A1KDM4ETSHR | |
| SCHEMBL3917930 | 0.78 | SIGMAR1 (0.55) | CASP3ALDH1A1KDM4ETSHRLMNA | |
| SCHEMBL4394070 | 0.78 | MAPT (0.48) | NPSR1ALDH1A1KDM4ETSHRLMNA | |
| SCHEMBL10090152 | 0.76 | CASP3 (0.58) | CASP3ALDH1A1LMNACA12CA9 | |
| SCHEMBL4768851 | 0.75 | CASP3 (0.53) | CASP3ALDH1A1TSHRLMNACYP3A4 | |
| SCHEMBL6103289 | 0.75 | SIGMAR1 (0.55) | CASP3ALDH1A1LMNAHTTMMP13 | |
| SCHEMBL4394101 | 0.75 | HTT (0.58) | NPSR1ALDH1A1TSHRLMNACA12 | |
| SCHEMBL19001342 | 0.75 | MAPK1 (0.55) | CASP3ALDH1A1LMNAHTTL3MBTL1 |
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 |