Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCKBR | P32239 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | MC1R | Q01726 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11296611 | 0.87 | SMN1; SMN2 (0.42) | BACE1KMT2ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL11298142 | 0.86 | SMN1; SMN2 (0.43) | BACE1KMT2ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL11320422 | 0.84 | SMN1; SMN2 (0.43) | BACE1KMT2ASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL11831804 | 0.81 | SIGMAR1 (0.49) | BACE1KMT2ASMN1; SMN2TSHRMEN1 | |
| SCHEMBL11320372 | 0.79 | FABP4 (0.45) | FABP4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11328174 | 0.78 | CYP3A4 (0.43) | KMT2ASMN1; SMN2TSHRCYP1A2CYP2D6 | |
| SCHEMBL11323859 | 0.77 | FABP4 (0.46) | KMT2ASMN1; SMN2CYP1A2FABP4HDAC3 | |
| SCHEMBL11326794 | 0.77 | CNR2 (0.45) | HDAC11HDAC8HDAC6 | |
| SCHEMBL11320377 | 0.77 | LMNA (0.43) | KMT2ASMN1; SMN2TSHRMEN1LMNA | |
| SCHEMBL11328429 | 0.77 | PPARG (0.43) | SMN1; SMN2TSHRLMNAHTT |
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-0006217-B1 | SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION, AND COMPOSITIONS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-03-31 | — | — | EP | disclosed |
| US-4243678-A | GASTROINTESTINAL DISORDERS, LIVER DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-01-06 | — | — | US | disclosed |