Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 11/20 | 0.41 |
| ▸ | CA9 | Q16790 | 11/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | SOD1 | P00441 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7218351 | 0.84 | CA12 (0.52) | CA12CA9CA2NPC1RAB9A | |
| SCHEMBL5204894 | 0.84 | NR4A2 (0.37) | CA12CA9CA2NPC1RAB9A | |
| SCHEMBL7712649 | 0.82 | RAB9A (0.46) | CA12CA9NPC1RAB9AL3MBTL1 | |
| SCHEMBL7714645 | 0.81 | PNMT (0.40) | CA12CA9CA2CA1CA7 | |
| SCHEMBL7378104 | 0.80 | CA12 (0.48) | CA12CA9NPC1RAB9AL3MBTL1 | |
| SCHEMBL5694225 | 0.79 | CA12 (0.44) | CA12CA9CA2CA1CA7 | |
| SCHEMBL7222844 | 0.78 | MAPT (0.53) | NPC1RAB9AL3MBTL1MAOAMAOB | |
| SCHEMBL7222816 | 0.77 | PTGS1 (0.39) | CA12CA9CA2NPC1RAB9A | |
| SCHEMBL7222742 | 0.77 | MAOB (0.52) | NPC1RAB9AL3MBTL1MAOAMAOB | |
| SCHEMBL7218045 | 0.77 | MAOB (0.55) | NPC1RAB9AL3MBTL1MAOAMAOB |
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-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |