Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.52 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | TYMP | P19971 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PNP | P00491 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31034424 | 0.79 | HPGD (0.58) | CALM1LTB4RKDM4EALDH1A1MEN1 | |
| SCHEMBL2820256 | 0.78 | CALM1 (0.73) | CALM1TYMPKDM4EALDH1A1CYP3A4 | |
| SCHEMBL29585113 | 0.74 | CALM1 (0.41) | CALM1LTB4RTYMPKDM4EALDH1A1 | |
| SCHEMBL9718488 | 0.72 | LTA4H (0.53) | ALDH1A1 | |
| Diphenylmethane SCHEMBL1303 | 0.71 | CALM1 (1.00) | CALM1KDM4EALDH1A1CYP3A4HPGD | |
| Diphenylmethane SCHEMBL14763944 | 0.71 | CALM1 (1.00) | CALM1KDM4EALDH1A1CYP3A4HPGD | |
| Diphenylmethane SCHEMBL3792579 | 0.71 | CALM1 (1.00) | CALM1KDM4EALDH1A1CYP3A4HPGD | |
| Diphenylmethane SCHEMBL28172316 | 0.71 | CALM1 (1.00) | CALM1KDM4EALDH1A1CYP3A4HPGD | |
| Diphenylmethane SCHEMBL4361124 | 0.71 | CALM1 (1.00) | CALM1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL18919603 | 0.71 | TSHR (0.58) | KDM4EALDH1A1MEN1CYP1A2CYP3A4 |
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-107418547-A | One kind is based on the high-temperature acidification corrosion inhibitor of tribenzyl (2 benzyl) pyridine ammonium chloride | 中国石油集团渤海钻探工程有限公司 | 2017-12-01 | — | — | CN | disclosed |