Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8459060 | 0.92 | DYRK1A (0.43) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8312429 | 0.92 | ALDH1A1 (0.47) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8314143 | 0.83 | DYRK1A (0.43) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8315901 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HTTLMNACNR2MAPT | |
| SCHEMBL8313731 | 0.81 | GABRA1 (0.37) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8311879 | 0.79 | GABRA1 (0.44) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8316729 | 0.77 | ALDH1A1 (0.50) | ALDH1A1NPSR1LMNAMAPTKDM4E | |
| SCHEMBL8311469 | 0.73 | ALDH1A1 (0.37) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL9738841 | 0.72 | CYP1A2 (0.52) | ALDH1A1HTTNPSR1LMNAGABRA1 | |
| SCHEMBL8314761 | 0.71 | TSHR (0.45) | ALDH1A1HTTNPSR1LMNAGABRA1 |
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 |