Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | FPR2 | P25090 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27682240 | 0.81 | TSHR (0.36) | TSHRPOLBALDH1A1GAALMNA | |
| SCHEMBL7314915 | 0.74 | ALDH1A1 (0.35) | TSHRALDH1A1GAALMNACYP3A4 | |
| SCHEMBL7068437 | 0.67 | LMNA (0.40) | TSHRALDH1A1GAALMNACYP3A4 | |
| SCHEMBL2110264 | 0.65 | SIGMAR1 (0.42) | TSHRALDH1A1GAALMNACYP3A4 | |
| SCHEMBL18758645 | 0.65 | MAPT (0.34) | TSHRPOLBALDH1A1GAALMNA | |
| SCHEMBL6129180 | 0.65 | ALDH1A1 (0.46) | TSHRPOLBALDH1A1GAALMNA | |
| SCHEMBL11556911 | 0.65 | LMNA (0.53) | ALDH1A1LMNAKMT2ANPSR1 | |
| Hydrochloric Acid SCHEMBL7970534 | 0.64 | SIGMAR1 (0.41) | TSHRALDH1A1GAALMNACYP3A4 | |
| SCHEMBL11024710 | 0.63 | LMNA (0.46) | ALDH1A1LMNAKMT2ANPSR1 | |
| SCHEMBL3898658 | 0.62 | ALDH1A1 (0.43) | TSHRPOLBALDH1A1GAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101041636-B | Method for synthesizing heterocyclic ketenes amine condensation derivatives | CHINESE ACAD INST CHEMISTRY | 2010-05-12 | — | — | CN | disclosed |
| CN-101041636-A | Method for synthesizing heterocyclic ketenes amine condensation derivatives | CHINESE ACAD INST CHEMISTRY (CN) | 2007-09-26 | — | — | CN | disclosed |