Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 6/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201652 | 0.97 | CNR2 (0.53) | CA12CA9CA2CNR2TMEM97 | |
| SCHEMBL7203881 | 0.92 | CA12 (0.63) | CA12CA9CA2TMEM97SIGMAR1 | |
| SCHEMBL3905679 | 0.85 | CA12 (0.72) | CA12CA9CA2ALOX15ALDH1A1 | |
| SCHEMBL7199478 | 0.84 | CNR2 (0.60) | CNR2TAS2R14 | |
| SCHEMBL3969287 | 0.84 | OPRK1 (0.63) | CA12CA9CA2TMEM97SIGMAR1 | |
| SCHEMBL472226 | 0.84 | CA12 (0.70) | CA12CA9CA2ALOX15ALDH1A1 | |
| SCHEMBL7203889 | 0.84 | CA12 (0.70) | CA12CA9CA2ALOX15ALDH1A1 | |
| SCHEMBL3898192 | 0.84 | CA12 (0.70) | CA12CA9CA2ALOX15ALDH1A1 | |
| SCHEMBL7204962 | 0.83 | CNR2 (0.59) | CNR2TAS2R14 | |
| SCHEMBL7206806 | 0.83 | CNR2 (0.61) | CNR2TAS2R14 |
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 3 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 |
| US-6319956-B1 | N1, N4-BIS(CYCLOPROPYLMETHYLAMINO)TRIALKYLENETETRAMINES THAT MAY BE TOLUENESULFONATED. | RIKEN (JP) | 2001-11-20 | — | — | US | disclosed |