Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL409776 | 0.98 | PDPK1 (0.53) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL7624882 | 0.96 | PDPK1 (0.52) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL7044949 | 0.96 | PDPK1 (0.52) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL5692672 | 0.83 | PDPK1 (0.64) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL1951149 | 0.81 | PDPK1 (0.61) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL24181671 | 0.80 | PDPK1 (0.43) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL8567274 | 0.76 | PDPK1 (0.55) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL26259375 | 0.75 | PDPK1 (0.59) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL26259560 | 0.75 | PDPK1 (0.54) | PDPK1ADORA2AADORA1RAB9ACYP2A6 | |
| SCHEMBL10977585 | 0.74 | PDPK1 (0.53) | PDPK1ADORA2AADORA1RAB9ACYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436091-B2 | Nitrile rubbers | LANXESS DEUTSCHLAND GMBH (US) | 2013-05-07 | — | — | US | disclosed |
| US-20110190441-A1 | NITRILE RUBBERS | LANXESS DEUTSCHLAND GMBH (DE) | 2011-08-04 | — | — | US | disclosed |