Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL17166803 | 0.67 | CYP2A6 (0.43) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL21295719 | 0.64 | ELANE (0.33) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL4304587 | 0.62 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL8780801 | 0.60 | ACHE (0.41) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL668650 | 0.59 | CYP2A6 (0.39) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL20735170 | 0.58 | TTR (0.41) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL16491835 | 0.58 | MCL1 (0.46) | CYP2A6CYP1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL126537 | 0.57 | — | — | |
| SCHEMBL4449888 | 0.57 | — | — | |
| SCHEMBL7624698 | 0.57 | CYP2A6 (0.43) | CYP2A6CYP1A2ALDH1A1CA1CA2 |
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 |