Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL10571858 | 0.91 | TSHR (0.82) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| Toluene SCHEMBL27711754 | 0.87 | HSD17B10 (0.64) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| SCHEMBL118464 | 0.85 | TSHR (0.71) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| SCHEMBL1926046 | 0.85 | TSHR (0.71) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| Toluene SCHEMBL28048143 | 0.83 | TSHR (0.59) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| Methylamine SCHEMBL28414354 | 0.83 | TSHR (0.69) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| SCHEMBL7157905 | 0.83 | TSHR (0.68) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| Fluoride SCHEMBL29099623 | 0.83 | TSHR (0.68) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| SCHEMBL29669769 | 0.83 | TSHR (0.68) | TSHRTDP1HSD17B10GPR35ALDH1A1 | |
| SCHEMBL7157907 | 0.83 | TSHR (0.68) | TSHRTDP1HSD17B10GPR35ALDH1A1 |
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-109824521-A | Between photoacoustic spectroscopy channel synthetic method | 中国工程物理研究院化工材料研究所 | 2019-05-31 | — | — | CN | claimed |
| CN-109824521-A | Between photoacoustic spectroscopy channel synthetic method | 中国工程物理研究院化工材料研究所 | 2019-05-31 | — | — | CN | disclosed |