Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7271710 | 0.85 | CYP1A2 (0.37) | CYP1A2NPC1PKMRAB9ACCNB2 | |
| SCHEMBL4843376 | 0.77 | BACE1 (0.36) | NCF1ALDH1A1 | |
| SCHEMBL4843280 | 0.77 | BCHE (0.30) | — | |
| SCHEMBL7976285 | 0.77 | ALDH1A1 (0.37) | NPC1RAB9AALDH1A1 | |
| SCHEMBL1789932 | 0.74 | NPC1 (0.46) | CYP1A2NPC1RAB9AALDH1A1 | |
| SCHEMBL4573051 | 0.74 | GPR3 (0.39) | CYP1A2ALDH1A1HRH4 | |
| SCHEMBL28571 | 0.70 | PDE10A (0.52) | CYP1A2NPC1RAB9ACCNB2CDK1 | |
| SCHEMBL426806 | 0.69 | CYP1A2 (0.50) | CYP1A2RAB9ANCF1ALDH1A1 | |
| SCHEMBL29013720 | 0.69 | ALDH1A1 (0.39) | CYP1A2NPC1NCF1ALDH1A1 | |
| SCHEMBL2889003 | 0.69 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1 |
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 |