Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXN | P10599 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605263 | 0.90 | TXN (0.68) | TXNNPC1RAB9ABCHECYP1A2 | |
| SCHEMBL1119596 | 0.90 | TXN (0.68) | TXNNPC1RAB9ABCHECYP1A2 | |
| SCHEMBL1604294 | 0.90 | TXN (0.68) | TXNNPC1RAB9ABCHECYP1A2 | |
| SCHEMBL1119590 | 0.82 | TXN (0.46) | TXNNPC1RAB9ACYP1A2CYP2E1 | |
| SCHEMBL28782649 | 0.79 | TXN (0.77) | TXNNPC1RAB9ABCHEAR | |
| SCHEMBL29651407 | 0.79 | TXN (0.77) | TXNNPC1RAB9ABCHEAR | |
| SCHEMBL9729274 | 0.77 | NPC1 (0.88) | NPC1RAB9ABCHECYP1A2CYP2E1 | |
| SCHEMBL11535096 | 0.77 | NPC1 (0.88) | NPC1RAB9ABCHECYP1A2CYP2E1 | |
| SCHEMBL21639229 | 0.77 | NPC1 (0.88) | NPC1RAB9ABCHECYP1A2CYP2E1 | |
| SCHEMBL1119592 | 0.77 | CYP1A2 (0.54) | TXNNPC1RAB9ACYP1A2CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017192514-A1 | 2-MERCAPTOBENZIMIDAZOLE DERIVATIVES AS CORROSION INHIBITORS | ECOLAB USA INC. (US) | 2017-11-09 | — | — | WO | disclosed |