Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.45 |
| ▸ | USP1 | O94782 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | LGMN | Q99538 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PNP | P00491 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4098207 | 0.80 | MEN1 (0.53) | ALDH1A1HPGDKDM4ESMN1; SMN2TLR7 | |
| SCHEMBL13384451 | 0.77 | ADORA2A (0.39) | ALDH1A1SMN1; SMN2HSP90AA1CYP3A4ADORA2B | |
| SCHEMBL4164688 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| SCHEMBL1584775 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| SCHEMBL27422649 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| SCHEMBL11315740 | 0.75 | HPGD (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| SCHEMBL15978138 | 0.75 | FPR1 (0.51) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| Hydrogen Sulfide SCHEMBL27583639 | 0.75 | HPGD (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2P2RX4 | |
| SCHEMBL7844750 | 0.73 | HPGD (0.51) | ALDH1A1HPGDKDM4ESMN1; SMN2TLR7 | |
| SCHEMBL3993882 | 0.73 | KDM4E (0.48) | ALDH1A1HPGDKDM4ESMN1; SMN2TDP1 |
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-1169310-A1 | PROCESS FOR PREPARING MKC-442 | Triangle Pharmaceuticals Inc. (US) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000061566-A1 | PROCESS FOR PREPARING MKC-442 | TRIANGLE PHARMACEUTICALS, INC. (US) | 2000-10-19 | — | — | WO | disclosed |