Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 5/20 | 0.62 |
| ▸ | HTR7 | P34969 | 4/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | MMP2 | P08253 | 2/20 | 0.56 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL12431958 | 1.00 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL1374186 | 0.89 | HDAC1 (0.76) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL1376558 | 0.89 | HDAC1 (0.76) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL4132568 | 0.88 | HDAC1 (0.73) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL12432013 | 0.86 | MAPT (0.76) | ALDH1A1SMN1; SMN2MEN1KMT2AHTR1A | |
| SCHEMBL4126191 | 0.85 | SMN1; SMN2 (0.75) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL14032587 | 0.82 | CNR1 (0.59) | ALDH1A1SMN1; SMN2KDM4ETSHRHTR1A | |
| SCHEMBL1374761 | 0.81 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL1375341 | 0.81 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KDM4ETSHRMEN1 | |
| SCHEMBL12431991 | 0.81 | HTR7 (0.54) | ALDH1A1SMN1; SMN2TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7981895-B2 | Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group | TOPOTARGET UK LIMITED (GB) | 2011-07-19 | — | — | US | disclosed |