Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708414 | 0.83 | MAPT (0.43) | TRPA1MAPTALOX15 | |
| SCHEMBL10650334 | 0.83 | KDM4E (0.42) | TRPA1MAPTALOX15SRD5A1SRD5A2 | |
| SCHEMBL11812280 | 0.81 | ALDH1A1 (0.40) | MAPTSRD5A1SRD5A2ALDH1A1TSHR | |
| SCHEMBL11394565 | 0.79 | MAPT (0.40) | TRPA1MAPTALOX15 | |
| SCHEMBL6562444 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL10457193 | 0.74 | MAPT (0.39) | TRPA1MAPTALOX15 | |
| SCHEMBL12160497 | 0.73 | CYP1A2 (0.44) | TRPA1MAPTALOX15ALDH1A1TSHR | |
| SCHEMBL7171679 | 0.73 | CYP1A2 (0.44) | TRPA1MAPTALOX15ALDH1A1TSHR | |
| SCHEMBL22077241 | 0.73 | SLC6A3 (0.34) | TSHRSMN1; SMN2 | |
| SCHEMBL10380096 | 0.72 | MAPT (0.41) | TRPA1MAPTALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017180248-A9 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-11-01 | — | — | WO | disclosed |
| WO-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |
| WO-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |
| EP-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |