Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092423 | 1.00 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7094977 | 1.00 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7097820 | 1.00 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7097556 | 1.00 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7203875 | 1.00 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7095728 | 0.98 | CA12 (0.66) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7095475 | 0.97 | CA12 (0.68) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7207746 | 0.97 | CA12 (0.64) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL7203889 | 0.95 | CA12 (0.70) | CA12CA2CA9ALDH1A1HTT | |
| SCHEMBL3905679 | 0.94 | CA12 (0.72) | CA12CA2CA9ALDH1A1HTT |
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-6627399-B1 | Using compound of given formula as accelerator | RIKEN (JP) | 2003-09-30 | — | — | US | disclosed |
| US-6605645-B2 | Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action | RIKEN (JP) | 2003-08-12 | — | — | US | disclosed |