Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL22047547 | 1.00 | DRD4 (0.35) | DRD4SIGMAR1TMEM97BACE1BACE2 | |
| SCHEMBL22047120 | 0.87 | BACE1 (0.34) | DRD4SIGMAR1TMEM97BACE1BACE2 | |
| SCHEMBL21996612 | 0.86 | USP30 (0.34) | DRD4SIGMAR1TMEM97BACE1BACE2 | |
| SCHEMBL24622151 | 0.86 | BACE1 (0.39) | BACE1BACE2DDB1CRBN | |
| SCHEMBL21996313 | 0.86 | BACE1 (0.39) | BACE1BACE2DDB1CRBN | |
| SCHEMBL21996540 | 0.84 | USP30 (0.33) | DRD4SIGMAR1TMEM97BACE1BACE2 | |
| SCHEMBL21996508 | 0.83 | ABCB1 (0.41) | BACE1BACE2GPR119DDB1CRBN | |
| SCHEMBL24622152 | 0.83 | ABCB1 (0.41) | BACE1BACE2GPR119DDB1CRBN | |
| SCHEMBL24622085 | 0.81 | BACE1 (0.36) | BACE1BACE2DDB1CRBN | |
| SCHEMBL22323665 | 0.76 | BACE1 (0.36) | DRD4SIGMAR1TMEM97BACE1BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020113077-A9 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020113077-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |