Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL27641818 | 0.82 | CES2 (0.45) | ALDH1A1LMNACRHBPCRHR2ACHE | |
| SCHEMBL8374423 | 0.80 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4CYP1A2HSD17B1 | |
| SCHEMBL28760865 | 0.79 | HTR3E (0.46) | ALDH1A1TSHRLMNAPARP1GAA | |
| SCHEMBL27641822 | 0.79 | MTNR1A (0.49) | ALDH1A1LMNACRHBPCRHR2PARP1 | |
| SCHEMBL5081710 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4CYP1A2HSD17B1 | |
| SCHEMBL1635424 | 0.77 | NPSR1 (0.46) | ALDH1A1TSHRCYP3A4CRHBPCRHR2 | |
| SCHEMBL27819349 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4CYP1A2HSD17B1 | |
| SCHEMBL27278066 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4CYP1A2HSD17B1 | |
| SCHEMBL27662593 | 0.77 | MTNR1A (0.54) | TSHRHSD17B1HSD17B2PARP1 | |
| SCHEMBL27641824 | 0.75 | CRHBP (0.45) | ALDH1A1TSHRCYP3A4CYP1A2CRHBP |
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-102300854-B | Benzothiazole Derivatives As Anticancer Agents | TAKEDA PHARMACEUTICAL | 2015-01-07 | — | — | CN | disclosed |
| CN-102300854-A | Benzothiazole derivatives as anticancer agents | — | 2011-12-28 | — | — | CN | disclosed |