Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | GFER | P55789 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 5/20 | 0.48 |
| ▸ | CNR1 | P21554 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1263095 | 0.92 | ALDH1A1 (0.60) | SLC2A1MAPTSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL15700668 | 0.91 | APP (0.54) | SLC2A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL55926 | 0.85 | SLC2A1 (0.75) | SLC2A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL1874999 | 0.85 | ALDH1A1 (0.61) | MAPTRAB9ATP53ALDH1A1GAA | |
| SCHEMBL10933094 | 0.83 | SLC2A1 (0.67) | SLC2A1MAPTSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL2872287 | 0.83 | SLC2A1 (0.72) | SLC2A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL10057768 | 0.82 | ALDH1A1 (0.53) | MAPTSMN1; SMN2ESR2ALDH1A1GAA | |
| SCHEMBL11722106 | 0.81 | MAPT (0.63) | MAPTSMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL9822910 | 0.81 | MEN1 (0.58) | MAPTSMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL9176989 | 0.81 | GSK3B (0.63) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693738-A | REACTING AN ISOCYANATE AND/OR AN ISOTHIOCYANATE COMPOUND WITH A HYDROXYL AND/OR MERCAPTO-CONTAINING COMPOUND IN THE PRESENCE OF A COMPLEX OF A TERTIARY AMINE AND A LEWIS ACID | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |