Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5449341 | 0.87 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL29838503 | 0.87 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL23220327 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL20560546 | 0.79 | RAB9A (0.57) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL6835353 | 0.76 | EPHX1 (0.61) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL21595530 | 0.76 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL5450015 | 0.76 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL4683211 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL5453503 | 0.76 | HPGD (0.61) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL12835096 | 0.75 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1467981-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | Kylix Pharmaceuticals B.V. (NL) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062215-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | KYLIX PHARMACEUTICALS B.V. (NL) | 2003-07-31 | — | — | WO | disclosed |