Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7934163 | 0.90 | KDM4E (0.45) | CA12CA9CA2KDM4ERYR2 | |
| SCHEMBL7222460 | 0.86 | MRGPRX4 (0.47) | KDM4ERAB9ATDP1ALDH1A1TP53 | |
| SCHEMBL7222517 | 0.85 | CA12 (0.39) | CA12CA9CA2KDM4ECA1 | |
| SCHEMBL7931558 | 0.84 | CTSL (0.39) | CA12CA9CA2KDM4ECYP1A2 | |
| SCHEMBL7216635 | 0.82 | LTA4H (0.39) | CA12CA9CA2KDM4EGAA | |
| SCHEMBL7215982 | 0.82 | ACACB (0.36) | CA12CA9CA2MAPTRAB9A | |
| SCHEMBL7222605 | 0.82 | MAOB (0.44) | HTTMAOBNR4A2 | |
| SCHEMBL7922057 | 0.81 | MAPT (0.42) | KDM4EGAAMAPTRAB9AALDH1A1 | |
| SCHEMBL7969016 | 0.81 | CA12 (0.41) | CA12CA9CA2KDM4ECYP1A2 | |
| SCHEMBL7969027 | 0.81 | CTSL (0.41) | CA12CA9L3MBTL1MAPTTP53 |
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 |