Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | BDKRB2 | P30411 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28119303 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL22930071 | 0.93 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL20633859 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL15736896 | 0.86 | BDKRB2 (0.52) | ALDH1A1CYP3A4TSHRTDP1BDKRB2 | |
| Formic Acid SCHEMBL28124226 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL20633875 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| Hydrochloric Acid SCHEMBL8453954 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL153634 | 0.78 | BDKRB2 (0.48) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL22930141 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10LMNATSHR | |
| SCHEMBL22930064 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HSD17B10LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |