Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315989 | 0.77 | CYP1A2 (0.43) | ALDH1A1KDM4EMAPTTSHRCYP1A2 | |
| SCHEMBL8313968 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL8314257 | 0.76 | MAPT (0.47) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL8314346 | 0.76 | LMNA (0.51) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL8314111 | 0.75 | CYP1A2 (0.46) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL9738512 | 0.75 | CYP3A4 (0.67) | ALDH1A1KDM4ELMNATSHRNPC1 | |
| SCHEMBL9738841 | 0.74 | CYP1A2 (0.52) | ALDH1A1KDM4ELMNAMAPTTP53 | |
| SCHEMBL8313031 | 0.74 | CYP1A2 (0.49) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL4590906 | 0.74 | CYP3A4 (0.52) | ALDH1A1KDM4ELMNAMAPTTSHR | |
| SCHEMBL8317759 | 0.73 | CYP3A4 (0.54) | ALDH1A1KDM4ELMNAMAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5534515-A | Pyrrolopyridazines having gastrointestinal protective effects | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-07-09 | — | — | US | disclosed |