Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11115052 | 0.91 | SIGMAR1 (0.41) | CYP3A4CYP2D6HTR2ASLC6A4 | |
| SCHEMBL10646247 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL10650460 | 0.82 | CYP11B1 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL10648181 | 0.82 | CYP11B1 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL10652461 | 0.75 | CYP19A1 (0.36) | CYP3A4CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL11134016 | 0.75 | TSHR (0.42) | CYP3A4CYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL10649242 | 0.74 | TSHR (0.40) | CYP3A4CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL10648690 | 0.74 | CYP11B1 (0.46) | CYP3A4CYP2D6KDM4EPOLBHSD17B10 | |
| Hydrochloric Acid SCHEMBL10648079 | 0.73 | TSHR (0.39) | CYP3A4CYP2C9CYP2C19TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL10651008 | 0.73 | CYP11B1 (0.46) | CYP3A4CYP2D6KDM4EPOLBHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0128502-B1 | SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION | A. Nattermann & Cie. GmbH (DE) | 1988-08-31 | — | — | EP | disclosed |
| EP-0128502-A1 | Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-12-19 | — | — | EP | disclosed |