Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | NNMT | P40261 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.44 |
| ▸ | TUBB | P07437 | 2/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.44 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968881 | 1.00 | AKR1C3 (0.49) | AKR1C3NNMTTBXAS1TUBB4ATUBB | |
| SCHEMBL1843120 | 0.88 | MKNK1 (0.55) | AKR1C3NNMTTBXAS1NPC1RAB9A | |
| SCHEMBL13052583 | 0.86 | MEN1 (0.46) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL21416628 | 0.83 | MEN1 (0.43) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6357160 | 0.82 | MEN1 (0.46) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6357155 | 0.82 | MEN1 (0.46) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL17273936 | 0.81 | AKR1C3 (0.53) | AKR1C3TBXAS1NPC1RAB9AAPEX1 | |
| SCHEMBL12383796 | 0.81 | TUBB4A (0.50) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL23722452 | 0.80 | IDH1 (0.43) | NNMTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL13719313 | 0.80 | IDH1 (0.43) | NNMTTUBB4ATUBBTUBA3CTUBA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008113835-A1 | PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE | NOVARTIS AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| EP-1592421-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | Pharmacia Corporation (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004058254-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |