Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL892932 | 0.89 | CYP1A2 (0.71) | CYP2C19CYP1A2NR1H4AKR1B1RXRA | |
| SCHEMBL23758511 | 0.86 | CYP1A2 (0.67) | CYP2C19CYP1A2NR1H4AKR1B1RXRA | |
| SCHEMBL9004082 | 0.83 | CYP1A2 (1.00) | CYP2C19CYP1A2NR1H4AKR1B1RXRA | |
| SCHEMBL9004090 | 0.83 | CYP1A2 (1.00) | CYP2C19CYP1A2NR1H4AKR1B1RXRA | |
| SCHEMBL29935522 | 0.81 | MEN1 (0.65) | CYP2C19CYP1A2AKR1B1RXRARXRB | |
| SCHEMBL378581 | 0.81 | MEN1 (0.65) | CYP2C19CYP1A2AKR1B1RXRARXRB | |
| Hydrochloric Acid SCHEMBL2525493 | 0.80 | MEN1 (0.63) | CYP2C19CYP1A2RXRARXRBRXRG | |
| SCHEMBL70565 | 0.80 | AKR1B1 (0.71) | CYP2C19CYP1A2AKR1B1RXRBMAPT | |
| SCHEMBL11421088 | 0.79 | AKR1B1 (0.59) | CYP2C19CYP1A2NR1H4AKR1B1RXRA | |
| SCHEMBL31645995 | 0.79 | CYP1A2 (0.58) | CYP2C19CYP1A2NR1H4AKR1B1RXRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104017241-A | Oxygen scavenging molecules, articles containing same, and methods of their use | CONSTAR INT INC | 2014-09-03 | — | — | CN | disclosed |
| CN-103911000-A | Thermoplastic resin composition having excellent surface gloss, reflectance, anti-yellowing property and moldability | CHEIL IND INC | 2014-07-09 | — | — | CN | disclosed |
| CN-102884118-B | Oxygen scavenging additives for plastic containers | GRAHAM PACKAGING CO | 2014-03-19 | — | — | CN | disclosed |
| CN-101688020-B | Oxygen scavenging molecules, articles comprising the same, and methods of use thereof | CONSTAR INT INC | 2014-01-01 | — | — | CN | disclosed |