Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.65 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2867587 | 0.85 | ALDH1A1 (0.69) | HDAC4HSD11B1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL21726317 | 0.85 | HSD11B1 (0.56) | HDAC4HSD11B1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL14067363 | 0.84 | SMN1; SMN2 (0.68) | HDAC4SMN1; SMN2GAANPSR1ALDH1A1 | |
| SCHEMBL3520523 | 0.84 | CHRM2 (0.66) | HDAC1CHRM2CHRM1 | |
| SCHEMBL3520264 | 0.83 | HDAC4 (0.71) | HDAC4HSD11B1SMN1; SMN2GAANPSR1 | |
| SCHEMBL5351676 | 0.82 | HDAC4 (0.61) | HDAC4HSD11B1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL25460818 | 0.81 | HDAC4 (0.73) | HDAC4HSD11B1SMN1; SMN2GAANPSR1 | |
| SCHEMBL5363274 | 0.80 | HDAC4 (0.55) | HDAC4HSD11B1SMN1; SMN2GAANPSR1 | |
| SCHEMBL20060916 | 0.80 | SMN1; SMN2 (0.65) | HDAC4SMN1; SMN2GAANPSR1ALDH1A1 | |
| SCHEMBL5636847 | 0.80 | HDAC4 (0.71) | HDAC4HSD11B1SMN1; SMN2GAANPSR1 |
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-2015179299-A1 | DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES | MOLECULAR TARGETING TECHNOLOGIES, INC. (US) | 2015-11-26 | — | — | WO | disclosed |