Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219453 | 0.82 | TSHR (0.61) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL13219674 | 0.82 | TSHR (0.66) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL172796 | 0.82 | TSHR (0.61) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL1829879 | 0.82 | TSHR (0.61) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL2565526 | 0.82 | KMT2A (0.61) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL94845 | 0.81 | TSHR (0.69) | TSHRMAPTKMT2AMEN1POLB | |
| Hydrochloric Acid SCHEMBL5622098 | 0.81 | KMT2A (0.60) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL30482083 | 0.81 | TSHR (0.59) | TSHRMAPTKMT2AMEN1POLB | |
| Hydrochloric Acid SCHEMBL21801320 | 0.81 | TSHR (0.59) | TSHRMAPTKMT2AMEN1POLB | |
| SCHEMBL1039984 | 0.81 | TSHR (0.59) | TSHRMAPTKMT2AMEN1POLB |
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-105753857-B | The medical usage of benzyl imino thiazole methylquinoline ketone derivatives | 湖南大学 | 2018-05-22 | — | — | CN | claimed |
| CN-105753857-B | The medical usage of benzyl imino thiazole methylquinoline ketone derivatives | 湖南大学 | 2018-05-22 | — | — | CN | disclosed |