Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31040674 | 0.78 | CYP2D6 (0.40) | CYP2D6MAPTSMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL11782368 | 0.75 | CYP2D6 (0.39) | CYP2D6MAPTKEAP1NFE2L2RAB9A | |
| SCHEMBL30502409 | 0.73 | CYP2D6 (0.43) | CYP2D6MAPTKEAP1NFE2L2TSHR | |
| SCHEMBL2679932 | 0.73 | CYP2D6 (0.43) | CYP2D6MAPTKEAP1NFE2L2TSHR | |
| Hydrochloric Acid SCHEMBL28101819 | 0.72 | EP300 (0.43) | CYP2D6MAPTNCEH1HPGDSIGMAR1 | |
| SCHEMBL9283373 | 0.70 | CYP2D6 (0.43) | CYP2D6MAPTKEAP1NFE2L2RAB9A | |
| SCHEMBL27749783 | 0.70 | CYP2D6 (0.50) | CYP2D6MAPTSMN1; SMN2RAB9ALMNA | |
| SCHEMBL6045799 | 0.69 | CYP2D6 (0.42) | CYP2D6MAPTKEAP1NFE2L2RAB9A | |
| SCHEMBL417875 | 0.69 | SLC2A1 (0.45) | CYP2D6TSHRNCEH1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL23749153 | 0.68 | SLC2A1 (0.44) | CYP2D6NCEH1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758681-A2 | Inhibiting transformation of cells having elevated purine metabolic enzyme activity | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1997-02-19 | — | — | EP | disclosed |
| EP-0458901-A1 | INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1991-12-04 | — | — | EP | disclosed |
| WO-1990009192-A1 | INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1990-08-23 | — | — | WO | disclosed |