Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | MDH1 | P40925 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221932 | 0.91 | PPARG (0.34) | KDM4EADRB2ADRB1ADRB3PPARG | |
| SCHEMBL7215982 | 0.88 | ACACB (0.36) | MDH1CA12CA2CA9THRB | |
| SCHEMBL7221547 | 0.85 | LMNA (0.40) | MDH1SMN1; SMN2L3MBTL1RAB9AGPR119 | |
| SCHEMBL7216635 | 0.82 | LTA4H (0.39) | KDM4ECA12CA2CA9THRB | |
| SCHEMBL7223588 | 0.82 | THRB (0.33) | KDM4ECA12CA2CA9THRA | |
| SCHEMBL7222803 | 0.81 | NPC1 (0.38) | KDM4EPPARGHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL7216131 | 0.81 | MAPT (0.36) | KDM4ECA12CA2CA9SMN1; SMN2 | |
| SCHEMBL7222347 | 0.78 | ACACB (0.35) | PPARGTHRATHRBRAB9AALDH1A1 | |
| SCHEMBL7968606 | 0.78 | MAPT (0.36) | KDM4ETHRAHPGDRAB9AGPR119 | |
| SCHEMBL7218066 | 0.78 | NPC1 (0.41) | KDM4EHPGDSMN1; SMN2L3MBTL1RAB9A |
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 |