Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1193711 | 0.81 | TSHR (0.56) | ALDH1A1TSHRHDAC2CYP3A4CES2 | |
| Thiobenzoic Acid SCHEMBL8082926 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRTAS1R3TAS1R1HDAC2 | |
| SCHEMBL7134181 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRTAS1R3TAS1R1HDAC2 | |
| SCHEMBL28409301 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRTAS1R3TAS1R1HDAC2 | |
| SCHEMBL8383017 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRTAS1R3TAS1R1HDAC2 | |
| Methyl Benzoate SCHEMBL8982921 | 0.74 | TSHR (0.61) | ALDH1A1TSHRCYP3A4NFKB1NFKB2 | |
| Styrene SCHEMBL10386352 | 0.74 | ALDH1A1 (0.78) | ALDH1A1TSHRTRPA1CYP3A4HDAC8 | |
| SCHEMBL4884648 | 0.74 | CES2 (0.65) | ALDH1A1TSHRHDAC2AKT1CES2 | |
| SCHEMBL39787 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC2AKT1CES2 | |
| SCHEMBL17677417 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRTAS1R3TAS1R1TRPA1 |
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-100497345-C | 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis | OTSUKA PHARMA CO LTD (JP) | 2009-06-10 | — | — | CN | disclosed |
| CN-1878777-A | 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis | OTSUKA PHARMA CO LTD (JP) | 2006-12-13 | — | — | CN | disclosed |