Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14046895 | 0.91 | MMP2 (0.48) | DGAT1HDAC6ALDH1A1HPGDNPSR1 | |
| SCHEMBL11948996 | 0.89 | HDAC6 (0.45) | DGAT1HDAC6ALDH1A1HPGDNPSR1 | |
| SCHEMBL11949066 | 0.88 | HDAC6 (0.47) | DGAT1HDAC6ALDH1A1HPGDNPSR1 | |
| SCHEMBL3099694 | 0.88 | HDAC6 (0.56) | DGAT1HDAC6ALDH1A1HPGDNPSR1 | |
| SCHEMBL14046894 | 0.85 | MAPT (0.45) | ALDH1A1HPGDNPSR1MAPTCYP3A4 | |
| SCHEMBL14046889 | 0.84 | THRB (0.50) | ALDH1A1HPGDNPSR1MAPTNPBWR1 | |
| SCHEMBL11949018 | 0.82 | HDAC6 (0.59) | HDAC6NPBWR1HDAC3MMP2MMP9 | |
| SCHEMBL11957168 | 0.82 | HDAC6 (0.59) | DGAT1HDAC6MAPTNPBWR1HDAC3 | |
| SCHEMBL11949054 | 0.81 | BRPF1 (0.48) | HDAC6ALDH1A1HPGDMAPTMMP2 | |
| SCHEMBL14046893 | 0.80 | HPGD (0.46) | ALDH1A1HPGDNPSR1MAPTNPBWR1 |
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-2008130669-A1 | BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2008-10-30 | — | — | WO | disclosed |