Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL11729495 | 0.76 | ADORA2B (0.38) | ADORA2AADORA2BLMNACYP1A2CYP3A4 | |
| SCHEMBL6934888 | 0.71 | KDM4E (0.42) | RAB9AADORA2AADORA2BKDM4EALDH1A1 | |
| SCHEMBL17604061 | 0.68 | TAAR1 (0.39) | RAB9AKDM4EALDH1A1HSP90AA1MAPT | |
| SCHEMBL14447532 | 0.67 | RAB9A (0.55) | RAB9AKDM4EALDH1A1HSP90AA1RIPK1 | |
| SCHEMBL17376370 | 0.67 | CHRM3 (0.40) | RAB9AHSP90AA1CYP1A2 | |
| SCHEMBL11727745 | 0.67 | HPGD (0.37) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL23010726 | 0.65 | RAB9A (0.53) | RAB9AKDM4EALDH1A1HSP90AA1RIPK1 | |
| SCHEMBL22091228 | 0.65 | RIPK1 (0.64) | RAB9AKDM4EALDH1A1RIPK1NPC1 | |
| SCHEMBL22982110 | 0.64 | PKN1 (0.51) | ALDH1A1HPGDMAPTADORA3 | |
| SCHEMBL17376532 | 0.64 | CHRM3 (0.40) | RAB9AALDH1A1HSP90AA1MAPTCYP1A2 |
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-4021442-A | Production of 1-alkyl-5-nitroimidazoles | BASF AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | disclosed |