Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.50 |
| ▸ | CA1 | P00915 | 11/20 | 0.50 |
| ▸ | CA9 | Q16790 | 10/20 | 0.50 |
| ▸ | CA12 | O43570 | 8/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.50 |
| ▸ | CA7 | P43166 | 5/20 | 0.50 |
| ▸ | CA5A | P35218 | 5/20 | 0.50 |
| ▸ | CA4 | P22748 | 4/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18230025 | 0.82 | PSIP1 (0.41) | CA2CA1CA9CA12CA14 | |
| SCHEMBL27828065 | 0.81 | PSIP1 (0.53) | CA2CA1CA9CA12CA14 | |
| SCHEMBL27472338 | 0.73 | KMT2A (0.47) | CA2CA1CA9CA12CA14 | |
| SCHEMBL7570703 | 0.72 | CA2 (0.46) | CA2CA1CA9CA12CA14 | |
| SCHEMBL3612901 | 0.71 | CA1 (0.46) | CA2CA1CA9CA12CA14 | |
| Mafenide SCHEMBL41628 | 0.67 | CA2 (1.00) | CA2CA1CA9CA12CA14 | |
| Mafenide SCHEMBL9295695 | 0.67 | CA2 (1.00) | CA2CA1CA9CA12CA14 | |
| SCHEMBL4587807 | 0.67 | HRH3 (0.42) | CA2CA1CA9CA12CA14 | |
| SCHEMBL7431850 | 0.67 | — | — | |
| Mafenide SCHEMBL1203324 | 0.66 | CA2 (1.00) | CA2CA1CA9CA12CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066231-A | A kind of azepine β-substitution Morita-Baylis-Hillman type compound and its synthetic method | 江苏师范大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-102124005-B | Cmet inhibitors | TAKEDA PHARMACEUTICAL | 2014-06-04 | — | — | CN | disclosed |
| CN-102124005-A | Cmet inhibitors | TAKEDA PHARMACEUTICAL | 2011-07-13 | — | — | CN | disclosed |
| CN-1033454-C | Preparation method of 4- [ (2-benzothiazolyl) methylamino ] -alpha- [ (3, 4-difluorophenoxy) methyl ] -1-piperidineethanol | JANSSEN PHARMACEUTICA NV (BE) | 1996-12-04 | — | — | CN | disclosed |
| CN-1117048-A | A process for preparing an intermediate compound of the benzothiazole compounds | JANSSEN PHARMACEUTICA NV (BE) | 1996-02-21 | — | — | CN | disclosed |
| CN-1113437-A | A process for preparing a pharmaceutical composition containing benzothiazole compounds | JANSSEN PHARMACEUTICA NV (BE) | 1995-12-20 | — | — | CN | disclosed |