Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6162529 | 0.85 | OPRM1 (0.56) | OPRM1HTTSRCKDM4ENPC1 | |
| SCHEMBL6767074 | 0.83 | OPRM1 (0.41) | OPRM1HTTSRCKDM4EALDH1A1 | |
| SCHEMBL6771955 | 0.83 | OPRM1 (0.41) | OPRM1HTTSRCKDM4EALDH1A1 | |
| SCHEMBL6771990 | 0.83 | OPRM1 (0.54) | OPRM1HTTSRCKDM4ENPC1 | |
| SCHEMBL6771178 | 0.82 | SRC (0.43) | OPRM1HTTSRCKDM4EALDH1A1 | |
| SCHEMBL6776541 | 0.81 | ALDH1A1 (0.47) | OPRM1HTTSRCKDM4EALDH1A1 | |
| SCHEMBL6767118 | 0.80 | HTT (0.40) | OPRM1HTTSRCKDM4EALDH1A1 | |
| SCHEMBL6771250 | 0.79 | OPRM1 (0.45) | OPRM1HTTHPGDALDH1A1MEN1 | |
| SCHEMBL6770719 | 0.79 | OPRM1 (0.76) | OPRM1HSP90AB1OPRD1OPRK1 | |
| SCHEMBL16156021 | 0.77 | PTGS2 (0.47) | KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |