Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9407966 | 1.00 | HTR2A (0.55) | HTR2AHTR2CHTR2BDRD4TSHR | |
| SCHEMBL9408081 | 0.88 | ALDH1A1 (0.55) | HTR2AHTR2CHTR2BUSP2ALDH1A1 | |
| SCHEMBL9408089 | 0.88 | ALDH1A1 (0.55) | HTR2AHTR2CHTR2BUSP2ALDH1A1 | |
| SCHEMBL9407953 | 0.82 | TSHR (0.40) | TSHRUSP2ALDH1A1MAPT | |
| SCHEMBL9407948 | 0.82 | TSHR (0.40) | TSHRUSP2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL9407957 | 0.81 | TSHR (0.39) | TSHRUSP2ALDH1A1MAPT | |
| SCHEMBL13098786 | 0.78 | MAPT (0.38) | TSHRUSP2ALDH1A1MAPTS1PR1 | |
| SCHEMBL29987937 | 0.77 | CSNK2A2 (0.44) | ALDH1A1MAPTHTTSMN1; SMN2HDAC3 | |
| SCHEMBL13098918 | 0.74 | MAPT (0.35) | USP2ALDH1A1MAPTS1PR1MAPK1 | |
| SCHEMBL13099111 | 0.74 | USP2 (0.41) | TSHRUSP2ALDH1A1MAPTHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0608858-A1 | 5-Membered heterocycles as aggregation inhibitors | Dr. Karl Thomae GmbH (DE) | 1994-08-03 | — | — | EP | disclosed |