Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 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 | |
|---|---|---|---|---|
| SCHEMBL19389253 | 0.81 | CYP2D6 (0.56) | HTR2AMEN1KMT2ACYP2D6ADRA2A | |
| SCHEMBL21015183 | 0.80 | ALDH1A1 (0.40) | CYP2D6ADRA2AADRA1AABCB11TAS1R3 | |
| SCHEMBL28112948 | 0.80 | CYP2D6 (0.39) | HTR2AMEN1KMT2ACYP2D6ADRA2A | |
| SCHEMBL22004342 | 0.79 | TP53 (0.41) | MEN1KMT2ATDP1PSEN1PSEN2 | |
| SCHEMBL1494043 | 0.78 | HTR2A (0.46) | HTR2ASLC6A4KCNH2MEN1KMT2A | |
| SCHEMBL21423114 | 0.78 | CA12 (0.47) | HTR2ACYP2D6ADRA2AADRA1AADRB2 | |
| SCHEMBL20729404 | 0.77 | PDE2A (0.38) | HTR2AABCB11TAS1R3TAS1R1MTNR1A | |
| SCHEMBL22028461 | 0.76 | ALDH1A1 (0.38) | MEN1KMT2ATDP1PSEN1PSEN2 | |
| SCHEMBL21166545 | 0.75 | TAS1R3 (0.35) | MEN1KMT2ACYP2D6ADRA2AADRA1A | |
| SCHEMBL16953982 | 0.75 | HTR2A (0.44) | HTR2ASLC6A4KCNH2MEN1KMT2A |
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 |