Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.46 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.40 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21841848 | 0.95 | HDAC6 (0.48) | HDAC6TLR8UTS2RKAT2BTDP1 | |
| SCHEMBL3634658 | 0.89 | TDP1 (0.45) | HDAC6UTS2RKAT2BTDP1TP53 | |
| SCHEMBL7136396 | 0.86 | KAT2B (0.57) | HDAC6KAT2BTDP1TP53CYP3A4 | |
| SCHEMBL8317776 | 0.81 | PTGER4 (0.51) | HDAC6KAT2BTDP1TP53CYP3A4 | |
| SCHEMBL2014730 | 0.81 | LMNA (0.50) | HDAC6TDP1TP53CYP3A4THRB | |
| SCHEMBL14906563 | 0.81 | HDAC6 (0.63) | HDAC6TLR8UTS2RKAT2BHTR1A | |
| Hydrochloric Acid SCHEMBL28045736 | 0.80 | GUCY1A1 (0.55) | HDAC6TLR8UTS2RKAT2BCYP3A4 | |
| SCHEMBL21016436 | 0.79 | HDAC6 (0.61) | HDAC6KAT2BHTR1AADRA1DADRA1A | |
| SCHEMBL763435 | 0.79 | ALDH1A1 (0.44) | TLR8TDP1CYP3A4THRBSMN1; SMN2 | |
| SCHEMBL27602961 | 0.79 | UTS2R (0.46) | HDAC6TLR8UTS2RKAT2BSMN1; SMN2 |
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-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |