Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.49 |
| ▸ | NFKBIA | P25963 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL137704 | 0.80 | TSHR (0.58) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL15356391 | 0.79 | TSHR (0.56) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL4067424 | 0.78 | TSHR (0.60) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL10619019 | 0.78 | TSHR (0.60) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL751494 | 0.78 | TSHR (0.55) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL751493 | 0.78 | TSHR (0.55) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL10515856 | 0.77 | TSHR (0.58) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL11119285 | 0.77 | TSHR (0.58) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL4807396 | 0.77 | TSHR (0.58) | TSHRCYP3A4MCOLN3NFKBIARELA | |
| SCHEMBL9734767 | 0.77 | TSHR (0.58) | TSHRCYP3A4MCOLN3NFKBIARELA |
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-104892468-A | Preparation method of sodium 6-chloro-3-nitromethylbenzoyl-4-sulfonate | UNIV TIANJIN | 2015-09-09 | — | — | CN | disclosed |