Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.41 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL6557221 | 0.80 | HDAC1 (0.56) | HDAC1HDAC8HDAC6HTR6GAA | |
| SCHEMBL11512276 | 0.80 | HDAC1 (0.59) | HDAC1HDAC8HDAC6GAAHTT | |
| SCHEMBL12684764 | 0.77 | HDAC1 (0.60) | HDAC1HDAC8HDAC6GAAHTT | |
| SCHEMBL21999822 | 0.77 | HDAC1 (0.56) | HDAC1HDAC8HDAC6HSD17B10GPR68 | |
| SCHEMBL5444651 | 0.77 | HDAC1 (0.56) | HDAC1HDAC8HDAC6GAAHTT | |
| SCHEMBL4982611 | 0.75 | HSD17B10 (0.59) | HDAC1HDAC8HDAC6HSD17B10IDO1 | |
| SCHEMBL11513455 | 0.74 | MEN1 (0.66) | HTTSMN1; SMN2KCNH3GPR68CA12 | |
| SCHEMBL6689330 | 0.73 | LMNA (0.55) | HDAC1HDAC8HDAC6GAASMN1; SMN2 | |
| SCHEMBL13054791 | 0.70 | SMN1; SMN2 (0.46) | HDAC1HDAC8HDAC6HTR6GAA | |
| SCHEMBL4270413 | 0.70 | CYP3A4 (0.69) | HTTSMN1; SMN2MAPTCYP3A4MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10018619-B2 | Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators | HMI Medical Innovations, LLC (US) | 2018-07-10 | — | — | US | disclosed |
| US-10018619-B2 | Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators | HMI Medical Innovations, LLC (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170191986-A1 | Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators | HMI Medical Innovations, LLC | 2017-07-06 | — | — | US | disclosed |
| US-20170191986-A1 | Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators | HMI Medical Innovations, LLC | 2017-07-06 | — | — | US | disclosed |