Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | AGER | Q15109 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 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 | |
|---|---|---|---|---|
| SCHEMBL7871559 | 1.00 | G6PD (0.41) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7202961 | 1.00 | G6PD (0.41) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7875317 | 0.93 | G6PD (0.43) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7201223 | 0.86 | CA12 (0.45) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9938681 | 0.85 | MCHR1 (0.45) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21510103 | 0.82 | G6PD (0.42) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28962151 | 0.80 | CA12 (0.51) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28403301 | 0.79 | CA1 (0.48) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5693758 | 0.79 | CA1 (0.48) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8473008 | 0.78 | GBA1 (0.47) | G6PDALDH1A1CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6605645-B2 | Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action | RIKEN (JP) | 2003-08-12 | — | — | US | disclosed |
| US-20020067472-A1 | Linear polyamine compounds and polyamine anticancer agents | IWATA MASAAKI (JP) | 2002-06-06 | — | — | US | disclosed |