Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7976059 | 0.80 | NUDT1 (0.44) | NPC1RAB9ANUDT1 | |
| SCHEMBL10866617 | 0.80 | AHR (0.33) | — | |
| SCHEMBL7976451 | 0.74 | ACHE (0.41) | — | |
| SCHEMBL940307 | 0.68 | PSMB8 (0.41) | — | |
| SCHEMBL24758507 | 0.67 | NUDT1 (0.43) | NPC1RAB9ANUDT1 | |
| SCHEMBL18645373 | 0.64 | NUDT1 (0.68) | NPC1RAB9ANUDT1 | |
| SCHEMBL938963 | 0.64 | NPC1 (0.42) | NPC1RAB9A | |
| SCHEMBL5331382 | 0.63 | AHR (0.36) | NPC1RAB9A | |
| SCHEMBL7976178 | 0.61 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18267352 | 0.61 | HTT (0.36) | NPC1RAB9A |
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 |