Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974002 | 0.85 | ALDH1A1 (0.37) | ALDH1A1TDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4843376 | 0.77 | BACE1 (0.36) | ALDH1A1 | |
| SCHEMBL7972525 | 0.77 | CYP1A2 (0.41) | ALDH1A1NPC1RAB9A | |
| SCHEMBL4843280 | 0.77 | BCHE (0.30) | — | |
| SCHEMBL1789932 | 0.74 | NPC1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9601037 | 0.74 | TDP1 (0.52) | TDP1 | |
| SCHEMBL222284 | 0.70 | SMN1; SMN2 (0.53) | ALDH1A1TDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30731286 | 0.70 | SMN1; SMN2 (0.53) | ALDH1A1TDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4401093 | 0.69 | CYP2A6 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL31311 | 0.69 | MAPT (0.39) | ALDH1A1 |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |