Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6597563 | 0.90 | USP2 (0.56) | USP2ALDH1A1LMNAHTTTP53 | |
| SCHEMBL19144089 | 0.88 | USP2 (0.54) | USP2ALDH1A1LMNAHTTTP53 | |
| SCHEMBL3841239 | 0.86 | USP2 (0.58) | USP2ALDH1A1LMNAHTTTP53 | |
| SCHEMBL1907807 | 0.83 | ALDH1A1 (0.58) | USP2ALDH1A1LMNAHTTMEN1 | |
| SCHEMBL1696787 | 0.83 | USP2 (0.55) | USP2ALDH1A1LMNAMGLLMEN1 | |
| SCHEMBL11142367 | 0.82 | ALDH1A1 (0.74) | ALDH1A1TP53HPGDAKR1C3 | |
| SCHEMBL14465930 | 0.81 | PARP1 (0.57) | USP2ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL20901830 | 0.80 | USP2 (0.53) | USP2ALDH1A1LMNATP53MEN1 | |
| SCHEMBL11821537 | 0.80 | MGLL (0.47) | USP2ALDH1A1LMNAHTTTP53 | |
| SCHEMBL12676673 | 0.80 | ALDH1A1 (0.54) | USP2ALDH1A1LMNAHTTMEN1 |
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-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |