Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22033127 | 0.79 | NOTUM (0.45) | NOTUMCHRM2CHRM4ADRB1CHRM1 | |
| SCHEMBL24156124 | 0.76 | ADORA2A (0.39) | ADORA2AMAP4K4LMNAATR | |
| SCHEMBL2450915 | 0.75 | MAPT (0.53) | ADRB1ADORA2AMAP4K4ALDH1A1LMNA | |
| SCHEMBL293214 | 0.75 | HTR3E (0.48) | NOTUMADRB1MAPT | |
| SCHEMBL5010073 | 0.75 | ADRA2C (0.58) | CHRM2CHRM4ADRB1CHRM1CHRM3 | |
| SCHEMBL5591514 | 0.74 | ALDH1A1 (0.48) | CHRM2CHRM4ADRB1CHRM1CHRM3 | |
| SCHEMBL22081862 | 0.74 | NOTUM (0.32) | NOTUMCYP3A4FFAR4FFAR1BACE1 | |
| SCHEMBL25844329 | 0.73 | PRKAB2 (0.40) | NOTUMMAPTSMN1; SMN2FFAR4HTT | |
| SCHEMBL15676569 | 0.73 | NOTUM (0.43) | NOTUMFFAR4 | |
| SCHEMBL2710983 | 0.71 | MAPT (0.50) | CHRM2CHRM4ADRB1CHRM1CHRM3 |
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-2020117877-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |
| WO-2020117877-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |