Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28116286 | 0.79 | MAPT (0.43) | PARP1CYP1A2MAPTTP53GUSB | |
| SCHEMBL28116302 | 0.77 | CHEK2 (0.42) | PARP1SMPD3MAPTTP53KDM4E | |
| SCHEMBL28116659 | 0.76 | BRD4 (0.43) | PARP1MAPTTP53KDM4EMEN1 | |
| SCHEMBL28116665 | 0.72 | ALDH1A1 (0.58) | PARP1MAPTTP53KDM4EMEN1 | |
| SCHEMBL28837340 | 0.70 | KDM4E (0.57) | CYP1A2MAPTTP53KDM4EMEN1 | |
| SCHEMBL28116288 | 0.68 | PARP1 (0.53) | PARP1CYP1A1CYP1B1CYP1A2MAPT | |
| SCHEMBL17251750 | 0.67 | MAPT (0.50) | CYP1A1CYP1B1CYP1A2MAPTTP53 | |
| SCHEMBL50460 | 0.67 | ALDH1A1 (0.55) | CYP1A2MAPTTP53KDM4EMEN1 | |
| SCHEMBL7917574 | 0.65 | ALDH1A1 (0.61) | PARP1CYP1A2MAPTTP53KDM4E | |
| SCHEMBL28116661 | 0.65 | PARP1 (0.48) | PARP1MAPTTP53KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104072425-B | Benzimidazole compound and application thereof | 大连理工大学 | 2016-12-07 | — | — | CN | disclosed |