Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27554832 | 0.87 | DPP4 (0.37) | PDPK1LOXL2CHEK2BCAT2 | |
| SCHEMBL29228755 | 0.76 | PDPK1 (0.46) | PDPK1LOXL2CHEK2BCAT2ALDH1A1 | |
| SCHEMBL2153729 | 0.76 | PDPK1 (0.46) | PDPK1LOXL2HSP90AA1CHEK2CYP2A6 | |
| SCHEMBL29228590 | 0.71 | KMT2A (0.50) | ALDH1A1HSD17B10RAB9A | |
| SCHEMBL8084435 | 0.70 | BCAT2 (0.68) | BCAT2ALDH1A1TSHR | |
| SCHEMBL6054455 | 0.69 | HDAC2 (0.44) | PDPK1CHEK2ADORA2AADORA1ALDH1A1 | |
| SCHEMBL5692672 | 0.68 | PDPK1 (0.64) | PDPK1LOXL2HSP90AA1CYP2A6ADORA2A | |
| SCHEMBL13946258 | 0.66 | PLAU (0.64) | — | |
| SCHEMBL30960693 | 0.66 | ADORA2A (0.41) | PDPK1CYP2A6ADORA2AADORA1TSHR | |
| SCHEMBL1951149 | 0.66 | PDPK1 (0.61) | PDPK1LOXL2HSP90AA1CYP2A6ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1337961-A | Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors | DIMENSIONAL PHARM INC (US) | 2002-02-27 | — | — | CN | disclosed |