Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.91 |
| ▸ | TSHR | P16473 | 2/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065515 | 1.00 | CYP3A4 (0.91) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL27280992 | 0.98 | TSHR (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL27310415 | 0.98 | TSHR (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| Water SCHEMBL28200864 | 0.95 | CYP3A4 (0.91) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| Methane SCHEMBL28155920 | 0.95 | CYP3A4 (0.91) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| Phosphine SCHEMBL28322644 | 0.95 | CYP3A4 (0.91) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL10336991 | 0.95 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL21582 | 0.95 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL131412 | 0.95 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL27371282 | 0.95 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106310381-B | A kind of calcium sulfate porous compound bio bracket of the degradable calcium phosphate-containing magnesium | 李亚屏 | 2019-05-14 | — | — | CN | disclosed |