Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL27692325 | 0.79 | PARP1 (0.43) | CYP3A4TSHRPIK3CASLC6A2TAAR1 | |
| SCHEMBL26627638 | 0.79 | ESR1 (0.35) | CYP3A4TSHRPIK3CASLC6A2TAAR1 | |
| SCHEMBL3803877 | 0.77 | TLR8 (0.37) | CYP3A4SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL18400702 | 0.76 | KDM4E (0.39) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL22064555 | 0.74 | TAAR1 (0.40) | CYP3A4SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL22598979 | 0.74 | TAAR1 (0.40) | CYP3A4SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL27643856 | 0.74 | TSHR (0.47) | CYP3A4TSHRSLC6A2TAAR1ALDH1A1 | |
| SCHEMBL12848646 | 0.74 | GABRA1 (0.32) | TLR8TLR7ALDH1A1HPGDHSD17B10 | |
| SCHEMBL27389604 | 0.71 | IRAK4 (0.42) | CYP3A4TSHRSLC6A3ALDH1A1HPGD | |
| SCHEMBL434493 | 0.71 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321795-B | RIM elastomers based on isocyanurates of isophorone diisocyanate and prepolymers thereof | BAYER MATERIALSCIENCE LLC | 2011-09-28 | — | — | CN | disclosed |
| CN-101541847-A | Spray-applied polyurethane urea compounds based on polyisocyanate prepolymers containing soft segments | BAYER MATERIALSCIENCE LLC (US) | 2009-09-23 | — | — | CN | disclosed |
| CN-101321795-A | RIM elastomers based on isocyanurates of isophorone diisocyanate and prepolymers thereof | BAYER MATERIALSCIENCE LLC (US) | 2008-12-10 | — | — | CN | disclosed |
| CN-101300283-A | Polyurethane-urea elastomers | BAYER MATERIALSCIENCE LLC (US) | 2008-11-05 | — | — | CN | disclosed |
| CN-101049747-A | Composite parts comprising sprayed polyurethaneureas | BAYER MATERIALSCIENCE LLC (US) | 2007-10-10 | — | — | CN | disclosed |