Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.34 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743434 | 1.00 | CCR2 (0.39) | CCR2TP53CYP3A4MAPTALOX15 | |
| SCHEMBL7748936 | 0.93 | CCR2 (0.43) | CCR2TP53CYP3A4MAPTALOX15 | |
| SCHEMBL7747425 | 0.84 | ADRA1A (0.49) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7679689 | 0.76 | ADRA1D (0.43) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7679189 | 0.76 | ADRA1D (0.43) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7675111 | 0.76 | ADRA1D (0.43) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7747435 | 0.75 | ADRA1D (0.39) | ADRA1DADRA1AADRA1BF11ELOVL6 | |
| SCHEMBL5661778 | 0.73 | MTOR (0.35) | ADRA1A | |
| SCHEMBL5663243 | 0.73 | MTOR (0.35) | ADRA1A | |
| Hydrochloric Acid SCHEMBL7748897 | 0.72 | ADRA1A (0.51) | ADRA1DADRA1AADRA1B |
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-2001022919-A2 | SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | claimed |
| WO-2001022919-A2 | SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | disclosed |