Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 8/20 | 0.36 |
| ▸ | ACACB | O00763 | 8/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216131 | 0.94 | MAPT (0.36) | LTA4HMAPK1SMN1; SMN2ACACAACACB | |
| SCHEMBL7221094 | 0.93 | ACACB (0.42) | SMN1; SMN2ACACAACACBMAPTKDM4E | |
| SCHEMBL7934085 | 0.90 | PLA2G2A (0.39) | MAPK1SMN1; SMN2ACACAACACBMAPT | |
| SCHEMBL7218340 | 0.89 | LTA4H (0.40) | LTA4HMAPK1SMN1; SMN2ACACAACACB | |
| SCHEMBL7221547 | 0.88 | LMNA (0.40) | MAPK1SMN1; SMN2ACACBMAPTALDH1A1 | |
| SCHEMBL7218022 | 0.88 | ACACB (0.38) | MAPK1ACACAACACBMAPTTSHR | |
| SCHEMBL7215982 | 0.88 | ACACB (0.36) | SMN1; SMN2ACACAACACBMAPTCA12 | |
| SCHEMBL7928473 | 0.85 | ALPL (0.43) | MAPTPLA2G2AGAAALPL | |
| SCHEMBL7216023 | 0.84 | L3MBTL1 (0.34) | SMN1; SMN2MAPTTSHRCA12CA2 | |
| SCHEMBL7975157 | 0.84 | RARB (0.40) | MAPTPLA2G2AKDM4EALPL |
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 |