Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8318381 | 0.93 | KMT2A (0.42) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL8311879 | 0.88 | GABRA1 (0.44) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL5808647 | 0.83 | ALDH1A1 (0.48) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL9738512 | 0.80 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL8317759 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL4590906 | 0.77 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL9739298 | 0.76 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL8317417 | 0.76 | LMNA (0.53) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL8316752 | 0.75 | TYMS (0.45) | CYP1A2CYP2C9TSHRALDH1A1CYP2C19 | |
| SCHEMBL8313031 | 0.74 | CYP1A2 (0.49) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0609328-B1 | PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION | BYK GULDEN LOMBERG CHEM FAB (DE) | 1999-04-28 | — | — | EP | disclosed |
| US-5534515-A | Pyrrolopyridazines having gastrointestinal protective effects | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-07-09 | — | — | US | disclosed |
| WO-1993008190-A1 | PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1993-04-29 | — | — | WO | disclosed |