Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20231737 | 0.90 | HTR2A (0.44) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| SCHEMBL29788066 | 0.88 | HTR2A (0.61) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| SCHEMBL329913 | 0.88 | HTR2A (0.61) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL915156 | 0.86 | HTR2A (0.59) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| SCHEMBL13178603 | 0.85 | ABCB1 (0.41) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL7075718 | 0.85 | HTR2A (0.58) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| SCHEMBL3062617 | 0.82 | CHRNA7 (0.57) | HTR2CHTR2ACHRNA7 | |
| SCHEMBL1705264 | 0.81 | CYP3A4 (0.59) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| SCHEMBL30040451 | 0.81 | CYP3A4 (0.59) | HTR2CHTR2BHTR2ACYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL31193341 | 0.79 | CYP3A4 (0.56) | HTR2CHTR2BHTR2ACYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020108688-A1 | PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR NUCLEAR-MEDICAL IMAGING | HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) | 2020-06-04 | — | — | WO | disclosed |