Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6162867 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6770454 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6767118 | 0.84 | HTT (0.40) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6770286 | 0.81 | OPRM1 (0.56) | ALDH1A1HTTTSHROPRM1SRC | |
| SCHEMBL6767582 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNAOPRM1KMT2ANPSR1 | |
| SCHEMBL6771081 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6766716 | 0.78 | HTT (0.37) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6777584 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL6767248 | 0.78 | DHODH (0.35) | ALDH1A1MAPTLMNAKMT2ANPSR1 | |
| SCHEMBL6771955 | 0.77 | OPRM1 (0.41) | ALDH1A1HTTOPRM1SRCKDM4E |
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 |