Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28157980 | 0.98 | CYP1A2 (0.47) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL8094448 | 0.78 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL18814830 | 0.75 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL271505 | 0.75 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL271506 | 0.75 | CYP1A2 (0.59) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL24593163 | 0.75 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL9949544 | 0.74 | SLC22A12 (0.47) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL30618060 | 0.73 | HPGD (0.56) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL2200591 | 0.73 | CYP1A2 (0.52) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL29105728 | 0.73 | HPGD (0.56) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883173-B | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2019-11-08 | — | — | CN | claimed |
| CN-106883173-A | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2017-06-23 | — | — | CN | claimed |
| CN-106883173-B | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2019-11-08 | — | — | CN | disclosed |
| CN-106883173-B | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2019-11-08 | — | — | CN | disclosed |
| CN-106883173-A | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2017-06-23 | — | — | CN | disclosed |
| CN-106883173-A | A kind of method of synthesis of chiral trifluoromethylthio cyclic amine | 中国科学院大连化学物理研究所 | 2017-06-23 | — | — | CN | disclosed |
| CN-103804348-B | A kind of close electric trifluoromethylthio reagent, synthetic method and application thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-10-14 | — | — | CN | disclosed |