Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10948755 | 0.87 | NPC1 (0.44) | KMT2AALDH1A1MAPTHPGDLMNA | |
| SCHEMBL10949107 | 0.85 | KMT2A (0.39) | KMT2AALDH1A1MAPTHPGDLMNA | |
| SCHEMBL10943778 | 0.85 | TSHR (0.39) | KMT2AALDH1A1MAPTHPGDTHRB | |
| SCHEMBL10951017 | 0.82 | ALDH1A1 (0.37) | KMT2AALDH1A1MAPTHPGDLMNA | |
| SCHEMBL10947331 | 0.80 | KMT2A (0.38) | KMT2AALDH1A1MAPTHPGDLMNA | |
| SCHEMBL10946309 | 0.79 | KMT2A (0.40) | KMT2AALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL10945217 | 0.79 | KMT2A (0.40) | KMT2AALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL10948746 | 0.79 | KMT2A (0.40) | KMT2AALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL10946106 | 0.78 | PGR (0.42) | KMT2AMAPTHPGDMEN1CYP11B2 | |
| SCHEMBL10947941 | 0.76 | GAA (0.41) | KMT2AALDH1A1MAPTHPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4526723-A | Microbiocides | UNION CARBIDE CORPORATION (US) | 1985-07-02 | — | — | US | disclosed |
| US-4514317-A | A BICYCLO(2,2,2,) OCTANE RING AND DICYANO SUBSTITUTED BENZENE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-30 | — | — | US | disclosed |