Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.59 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KCNH3 | Q9ULD8 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | LOXL3 | P58215 | 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 | |
|---|---|---|---|---|
| SCHEMBL12553823 | 0.83 | — | — | |
| SCHEMBL501592 | 0.83 | — | — | |
| SCHEMBL29893902 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2965940 | 0.81 | LOXL2 (0.61) | LOXL2KCNQ2CYP3A4ALOX15TSHR | |
| SCHEMBL1211358 | 0.79 | LOXL2 (0.59) | LOXL2KCNQ2CYP3A4ALOX15TSHR | |
| SCHEMBL1029000 | 0.79 | LOXL2 (0.70) | LOXL2KCNQ2CYP3A4ALOX15TSHR | |
| SCHEMBL10238963 | 0.79 | LOXL2 (0.59) | LOXL2KCNQ2CYP3A4ALOX15TSHR | |
| SCHEMBL8493165 | 0.78 | LOXL2 (0.57) | LOXL2KCNQ2CYP3A4ALOX15TSHR | |
| SCHEMBL30527951 | 0.77 | TDP1 (0.39) | LOXL2TDP1NR3C2IDO1LOX | |
| SCHEMBL17242282 | 0.77 | TDP1 (0.39) | LOXL2TDP1NR3C2IDO1LOX |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101495461-A | Novel HIV reverse transcriptase inhibitors | GILEAD SCIENCES INC (US) | 2009-07-29 | — | — | CN | disclosed |
| CN-1768054-A | Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors | AVENTIS PHARMA SA (FR) | 2006-05-03 | — | — | CN | disclosed |