Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11142367 | 0.84 | ALDH1A1 (0.74) | ALDH1A1HPGDAKR1C3TSHRSMN1; SMN2 | |
| SCHEMBL14473350 | 0.82 | ALDH1A1 (0.62) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL119678 | 0.82 | ALDH1A1 (0.57) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL3841239 | 0.82 | USP2 (0.58) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL123930 | 0.82 | ALDH1A1 (0.57) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL2152758 | 0.82 | ALDH1A1 (0.57) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL14683865 | 0.79 | ALDH1A1 (0.62) | ALDH1A1HPGDAKR1C3TSHRSMN1; SMN2 | |
| SCHEMBL1907807 | 0.79 | ALDH1A1 (0.58) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL18948416 | 0.79 | USP2 (0.59) | ALDH1A1USP2HPGDLMNAMAPT | |
| SCHEMBL79080 | 0.79 | ALDH1A1 (0.53) | ALDH1A1USP2HPGDLMNAMAPT |
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 |