Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3932880 | 0.84 | MEP1B (0.35) | MEP1BHTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL4592925 | 0.84 | PTGS2 (0.32) | ALDH1A1MEP1BHTR2AHTR2CHTR2B | |
| SCHEMBL19304384 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MEP1BHTR2AMAPT | |
| SCHEMBL12560589 | 0.80 | MAPT (0.42) | ALDH1A1MEP1BMAPTTUBB1 | |
| SCHEMBL28339997 | 0.80 | ALDH1A1 (0.35) | ALDH1A1MEP1BHTR2AHTR2CHTR2B | |
| SCHEMBL448336 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL9377977 | 0.77 | CA2 (0.41) | ALDH1A1MEP1BHTR2AHTR2CHTR2B | |
| SCHEMBL31015964 | 0.77 | CA2 (0.41) | ALDH1A1MEP1BHTR2AHTR2CHTR2B | |
| SCHEMBL24103085 | 0.76 | TAAR1 (0.46) | ALDH1A1CYP1A2 | |
| SCHEMBL30219229 | 0.76 | TAAR1 (0.46) | ALDH1A1CYP1A2 |
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-1807398-B1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | EP | disclosed |