Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15418608 | 0.87 | ALDH1A1 (0.46) | ABCB11ALDH1A1MTNR1AMTNR1BAHR | |
| SCHEMBL21135648 | 0.86 | ALDH1A1 (0.40) | ABCB11ALDH1A1CASRAHR | |
| SCHEMBL21116104 | 0.83 | TSHR (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2737289 | 0.77 | ALDH1A1 (0.42) | ABCB11ALDH1A1CASRAHR | |
| SCHEMBL22169021 | 0.77 | PSEN1 (0.32) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL19003566 | 0.76 | NR1I2 (0.33) | ALDH1A1AHR | |
| SCHEMBL20993152 | 0.75 | TRPM8 (0.34) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5281972 | 0.74 | ADRB2 (0.43) | ABCB11ALDH1A1CASRAHR | |
| SCHEMBL21849217 | 0.74 | ALDH1A1 (0.39) | ABCB11ALDH1A1CASRAHR | |
| SCHEMBL11175185 | 0.74 | ALDH1A1 (0.44) | ABCB11ALDH1A1 |
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 |