Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL822672 | 0.86 | NR1H2 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL18648152 | 0.71 | EGLN2 (0.44) | NPC1RAB9AGPR119KDM4EMAPT | |
| SCHEMBL25078620 | 0.70 | RAB9A (0.42) | NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL9007470 | 0.70 | GAA (0.41) | NPC1RAB9AKDM4EMAPTALDH1A1 | |
| SCHEMBL26542947 | 0.68 | KDM4E (0.45) | NPC1RAB9ANR1H2NR1H3KDM4E | |
| SCHEMBL22130302 | 0.68 | ALDH1A1 (0.42) | NPC1RAB9AGPR119KDM4EMAPT | |
| SCHEMBL24185639 | 0.68 | NPC1 (0.39) | NPC1RAB9ANR1H2NR1H3GPR119 | |
| SCHEMBL9007469 | 0.68 | CYP2A6 (0.49) | KDM4EMAPTALDH1A1 | |
| SCHEMBL16152381 | 0.67 | HDAC1 (0.41) | GABRG2GABRB3GABRA5NPC1RAB9A | |
| SCHEMBL2658455 | 0.67 | ALDH1A1 (0.44) | HCRTR1NPC1RAB9AKDM4EMAPT |
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-4381306-A | Hydroxypropyl-triazole compounds, their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1983-04-26 | — | — | US | disclosed |