Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP1 | O94782 | 1/20 | 0.36 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL928068 | 0.95 | TSHR (0.48) | TSHRALOX15IDO1CYP3A4NOTUM | |
| Hydrochloric Acid SCHEMBL1819866 | 0.93 | TSHR (0.47) | TSHRALOX15IDO1CYP3A4NOTUM | |
| Fluoride SCHEMBL28981521 | 0.92 | TSHR (0.46) | TSHRALOX15IDO1CYP3A4NOTUM | |
| Hydrochloric Acid SCHEMBL28362336 | 0.92 | TSHR (0.46) | TSHRALOX15IDO1CYP3A4NOTUM | |
| Pyridine SCHEMBL27763194 | 0.89 | CYP3A4 (0.44) | TSHRALOX15IDO1CYP3A4CYP11B2 | |
| Boric Acid SCHEMBL28901108 | 0.87 | TSHR (0.43) | TSHRALOX15IDO1CYP3A4NOTUM | |
| SCHEMBL28217238 | 0.83 | TSHR (0.43) | TSHRALOX15IDO1CYP3A4CYP11B2 | |
| SCHEMBL28217237 | 0.83 | TSHR (0.43) | TSHRALOX15IDO1CYP3A4CYP11B2 | |
| Quinoline SCHEMBL28206810 | 0.79 | NCOA3 (0.49) | TSHRALOX15CYP3A4CYP11B2CYP19A1 | |
| SCHEMBL27949795 | 0.76 | MEN1 (0.53) | TSHRALOX15IDO1CYP3A4CYP11B2 |
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-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | claimed |
| CN-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | disclosed |