Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27841313 | 0.90 | CYP3A4 (0.44) | CYP3A4MIFALDH1A1TRPA1MAPT | |
| SCHEMBL8401752 | 0.83 | MIF (0.43) | CYP3A4MIFALDH1A1NOS3NOS1 | |
| SCHEMBL508210 | 0.83 | MIF (0.43) | CYP3A4MIFALDH1A1NOS3NOS1 | |
| SCHEMBL156948 | 0.81 | MIF (0.60) | MIFALDH1A1NOS3NOS1TRPA1 | |
| SCHEMBL25341986 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1TRPA1MAPTTDP1 | |
| SCHEMBL29409677 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1TRPA1MAPTTDP1 | |
| SCHEMBL1416730 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1TRPA1MAPTTDP1 | |
| SCHEMBL508209 | 0.77 | MIF (0.46) | MIFALDH1A1NOS3NOS1FTO | |
| SCHEMBL800487 | 0.77 | MIF (0.50) | MIFALDH1A1NOS3NOS1TRPA1 | |
| SCHEMBL2047233 | 0.76 | TSHR (0.47) | CYP3A4MIFALDH1A1TRPA1MAPT |
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-9982083-B2 | Polyiso-urea | BASF SE (DE) | 2018-05-29 | — | — | US | disclosed |
| US-20170058075-A1 | POLYISO-UREA | BASF SE (DE) | 2017-03-02 | — | — | US | disclosed |