Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.40 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HK1 | P19367 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11362724 | 1.00 | CYP1A1 (0.40) | CYP1A1CYP1A2CYP1B1DCPSNPC1 | |
| SCHEMBL11374206 | 0.98 | CYP1A1 (0.40) | CYP1A1CYP1A2CYP1B1DCPSNPC1 | |
| SCHEMBL11367102 | 0.92 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1DCPSNPC1 | |
| SCHEMBL11365106 | 0.82 | CYP1A2 (0.45) | CYP1A1CYP1A2CYP1B1DCPSSMN1; SMN2 | |
| SCHEMBL11361808 | 0.82 | CYP1A2 (0.45) | CYP1A1CYP1A2CYP1B1DCPSSMN1; SMN2 | |
| SCHEMBL11360454 | 0.80 | CYP1A2 (0.45) | CYP1A1CYP1A2CYP1B1DCPSSMN1; SMN2 | |
| SCHEMBL11366631 | 0.80 | F12 (0.33) | GAASMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL11363424 | 0.80 | F12 (0.33) | GAASMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL11361717 | 0.77 | F12 (0.33) | GAASMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL11374183 | 0.72 | CYP1A2 (0.52) | CYP1A1CYP1A2CYP1B1DCPSNPC1 |
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-4269834-A | Copper complexes of isoquinazolines | NAUTA WIJBE T | 1981-05-26 | — | — | US | disclosed |