Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6343478 | 0.81 | LTA4H (0.32) | ACACB | |
| SCHEMBL7931065 | 0.80 | ESR1 (0.43) | PPARDESR1PTGS1PTGS2 | |
| SCHEMBL7934070 | 0.79 | KMT2A (0.37) | SMN1; SMN2TSHRTDP1ACACB | |
| SCHEMBL7928364 | 0.76 | ALDH1A1 (0.32) | TDP1 | |
| SCHEMBL7216146 | 0.75 | HTR1A (0.40) | SMN1; SMN2PPARDTDP1ESR1 | |
| SCHEMBL6344983 | 0.74 | MEN1 (0.30) | PPARD | |
| SCHEMBL6344852 | 0.74 | TSHR (0.34) | TSHR | |
| SCHEMBL31256545 | 0.73 | ESR1 (0.44) | SMN1; SMN2PPARDTSHRESR1 | |
| SCHEMBL30966043 | 0.71 | CA1 (0.42) | SMN1; SMN2 | |
| SCHEMBL7922026 | 0.70 | HTT (0.39) | SMN1; SMN2PPARDESR1 |
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 |