Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.51 |
| ▸ | DRD2 | P14416 | 7/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | DRD5 | P21918 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 4/20 | 0.49 |
| ▸ | HTR2A | P28223 | 3/20 | 0.49 |
| ▸ | HTR6 | P50406 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9131013 | 0.99 | DRD2 (0.51) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9134171 | 0.98 | HTR1A (0.54) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9131814 | 0.94 | HTR1A (0.47) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9129953 | 0.89 | HTR1A (0.52) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9244705 | 0.89 | HTR1A (0.64) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9129056 | 0.89 | HTR1A (0.64) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9131364 | 0.89 | HTR1A (0.64) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9131003 | 0.89 | DRD2 (0.64) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9131871 | 0.89 | DRD2 (0.43) | HTR1ADRD2DRD4DRD5DRD3 | |
| SCHEMBL9131046 | 0.89 | HTR1A (0.54) | HTR1ADRD2DRD4DRD5DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5453437-A | 1,3-disubstituted pyrrolidines | BAYER AKTIENGESELLSCHAFT (DE) | 1995-09-26 | — | — | US | disclosed |
| US-5274097-A | A 1-N-heterocyclic alkylene-3-carbo or heterocyclic ring oxypyrrolidine derivative | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |
| US-5037841-A | For treating nervous system disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-06 | — | — | US | disclosed |