Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.53 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | HTR5A | P47898 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18743294 | 0.81 | ACHE (0.49) | HTR5A | |
| SCHEMBL434007 | 0.81 | ACHE (0.49) | HTR5A | |
| SCHEMBL14550603 | 0.80 | BRD4 (0.51) | AHRRIPK1HTR2CHTR2AHTR2B | |
| SCHEMBL7428693 | 0.80 | BRD4 (0.51) | AHRRIPK1HTR2CHTR2AHTR2B | |
| SCHEMBL14721601 | 0.80 | CA9 (0.40) | MEN1KMT2A | |
| SCHEMBL1185925 | 0.78 | CES1 (0.47) | AHRPGRCMA1TGM2CES1 | |
| SCHEMBL20870384 | 0.78 | PARP1 (0.40) | HTR2CHTR2AHTR2BDRD4DRD2 | |
| SCHEMBL26443812 | 0.78 | KIF11 (0.42) | MEN1KMT2A | |
| SCHEMBL20582071 | 0.78 | AHR (0.54) | AHRPGRRIPK1HTR2CHTR5A | |
| SCHEMBL6363356 | 0.77 | KCNJ1 (0.35) | PGRHTR2CHTR2AHTR2BDRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024042494-A1 | SUBSTITUTED PYRROLOTRIAZINES | MOLECURE SA (PL) | 2024-02-29 | — | — | WO | disclosed |
| EP-1069897-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051227-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |