Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861476 | 0.98 | ALDH1A1 (0.42) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL67905 | 0.84 | ALDH1A1 (0.58) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL68495 | 0.78 | ALDH1A1 (0.56) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL23787609 | 0.77 | ALDH1A1 (0.61) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL30604754 | 0.76 | ALDH1A1 (0.65) | ALDH1A1PAOXTSHRFAAH | |
| SCHEMBL65382 | 0.75 | MEN1 (0.46) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL611933 | 0.75 | ALDH1A1 (0.58) | ALDH1A1PAOXCHRM2LMNAHTR1A | |
| SCHEMBL13003549 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL7796998 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CHRM2LMNAHTR1AGAA | |
| SCHEMBL5551561 | 0.74 | PAOX (0.52) | ALDH1A1PAOXLMNACYP1A2SMN1; 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-6028193-A | CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR | MITSUI CHEMICALS, INC. (JP) | 2000-02-22 | — | — | US | disclosed |