Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11632304 | 0.87 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL8452388 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL14922241 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL6416173 | 0.78 | ADRB1 (0.55) | ALDH1A1LMNAMAPTADRB2HTR2C | |
| SCHEMBL31051826 | 0.77 | ADRB1 (0.48) | ALDH1A1LMNAMAPTSMN1; SMN2HTR2C | |
| Hydrochloric Acid SCHEMBL20139467 | 0.77 | ADRB1 (0.53) | ALDH1A1LMNAMAPTADRB2HTR2C | |
| Hydrochloric Acid SCHEMBL5988848 | 0.77 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL13756994 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL22171244 | 0.75 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 | |
| SCHEMBL31744935 | 0.75 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTSMN1; SMN2ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |