Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | BCL9 | O00512 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7723399 | 0.87 | ALDH1A1 (0.46) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL135650 | 0.85 | AKR1C3 (0.62) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL31718130 | 0.85 | AKR1C3 (0.62) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL7732967 | 0.84 | HDAC3 (0.45) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6462715 | 0.83 | TSHR (0.49) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL5742182 | 0.83 | ALDH1A1 (0.49) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL10484221 | 0.83 | AKR1C3 (0.61) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1647739 | 0.82 | TSHR (0.47) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL7733262 | 0.81 | AKR1C3 (0.53) | NPC1AKR1C3AKR1C2ALDH1A1MAPT | |
| SCHEMBL11090178 | 0.81 | ALDH1A1 (0.49) | NPC1AKR1C3AKR1C2ALDH1A1MAPT |
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-6476266-B1 | Diamino compound and production process for the same | CHISSO CORPORATION (JP) | 2002-11-05 | — | — | US | disclosed |