Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28090586 | 0.88 | MAPK1 (0.57) | TSHRMAPTALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL28255199 | 0.86 | TSHR (0.55) | TSHRMAPTTP53ALDH1A1CES2 | |
| SCHEMBL27384308 | 0.85 | MAPT (0.50) | TSHRMAPTTP53ALDH1A1CES2 | |
| SCHEMBL27406857 | 0.85 | MAPT (0.61) | TSHRMAPTTP53ALDH1A1CES2 | |
| Carbamic Acid SCHEMBL27919491 | 0.85 | TSHR (0.70) | TSHRMAPTTP53ALDH1A1CES2 | |
| Chloromethane SCHEMBL27475705 | 0.85 | TP53 (0.67) | TSHRMAPTTP53ALDH1A1CES2 | |
| Nitrobenzene SCHEMBL27619171 | 0.85 | ALDH1A1 (0.53) | TSHRMAPTTP53ALDH1A1CES2 | |
| Urea SCHEMBL28125526 | 0.85 | TSHR (0.70) | TSHRMAPTTP53ALDH1A1CES2 | |
| Methylamine SCHEMBL27764628 | 0.85 | TP53 (0.67) | TSHRMAPTTP53ALDH1A1CES2 | |
| Hydrazine SCHEMBL27600958 | 0.83 | TP53 (0.69) | TSHRMAPTTP53ALDH1A1CES2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311813-A | The functionalized universal ligand of the meta position-C-H of palladium chtalyst | 斯克利普斯研究院 | 2019-02-05 | — | — | CN | disclosed |
| CN-108055843-A | Synthesis of benzodiazepine derivatives | 特里奥医药有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-106715411-A | Benzodiazepine derivatives as cck2/gastrin receptor antagonists | 特里奥医药有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-104245671-B | nitrogen-containing heterocyclic compound or salt thereof | 富士胶片株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106279172-A | Purinone compound as inhibitors of kinases | 药品循环有限责任公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104640861-B | Purinone compounds as kinase inhibitors | 药品循环公司 | 2016-08-24 | — | — | CN | disclosed |