Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL6135812 | 0.94 | TSHR (0.44) | TSHRTHRBCYP1A2LMNA | |
| SCHEMBL28114572 | 0.85 | TSHR (0.36) | TSHRTHRBNAAA | |
| SCHEMBL28290807 | 0.85 | TSHR (0.36) | TSHRTHRBNAAA | |
| SCHEMBL11641372 | 0.85 | TSHR (0.36) | TSHRTHRBNAAA | |
| SCHEMBL1203395 | 0.85 | TSHR (0.36) | TSHRTHRBNAAA | |
| SCHEMBL27290586 | 0.84 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL6135809 | 0.84 | CYP1A2 (0.31) | CYP1A2 | |
| Cyclohexane SCHEMBL10453382 | 0.79 | TSHR (0.64) | TSHRTHRBCYP1A2LMNASLC22A1 | |
| Hexane SCHEMBL5073928 | 0.79 | TSHR (0.64) | TSHRTHRBCYP1A2LMNASLC22A1 | |
| Cyclohexane SCHEMBL10572382 | 0.79 | TSHR (0.64) | TSHRTHRBCYP1A2LMNASLC22A1 |
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-107746731-A | Composite gasoline additive | 魏崇振 | 2018-03-02 | — | — | CN | disclosed |