Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27962235 | 0.80 | NOTUM (0.41) | NOTUMPTGS2MAPTAADAT | |
| SCHEMBL28674077 | 0.78 | RXRA (0.44) | NOTUM | |
| SCHEMBL28598345 | 0.78 | KEAP1 (0.49) | NOTUMALDH1A1SIGMAR1MAPT | |
| SCHEMBL28598903 | 0.76 | NOTUM (0.50) | NOTUMHTTALDH1A1HTR3EHTR3B | |
| SCHEMBL7229114 | 0.74 | NOTUM (0.56) | NOTUMEPHX2HTTALDH1A1HTR3E | |
| SCHEMBL796144 | 0.73 | NOTUM (0.43) | NOTUMHTTALDH1A1 | |
| SCHEMBL28586098 | 0.72 | NOTUM (0.51) | NOTUMHTTALDH1A1MAPTCYP1A2 | |
| SCHEMBL10375945 | 0.72 | NOTUM (0.58) | NOTUMEPHX2HTTALDH1A1HTR3E | |
| SCHEMBL28188988 | 0.72 | NOTUM (1.00) | NOTUMEPHX2HTTALDH1A1 | |
| SCHEMBL1895992 | 0.71 | NOTUM (0.49) | NOTUMEPHX2HTTALDH1A1HTR3E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144384-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000043369-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| CN-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |