Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.51 |
| ▸ | GRM4 | Q14833 | 8/20 | 0.48 |
| ▸ | PYGL | P06737 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7947343 | 0.91 | KMT2A (0.57) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7945542 | 0.89 | ALDH1A1 (0.67) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7946627 | 0.86 | KMT2A (0.59) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7938939 | 0.83 | MAPT (0.56) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7948458 | 0.82 | KMT2A (0.63) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL6815021 | 0.82 | ALDH1A1 (0.71) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7950537 | 0.81 | POLB (0.50) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL6815564 | 0.79 | ALDH1A1 (0.71) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL7939040 | 0.78 | NPC1 (0.56) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL6815013 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT |
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-6262082-B1 | Diaminopyridine-containing thiourea inhibitors of herpes viruses | WYETH | 2001-07-17 | — | — | US | disclosed |