Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 4/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 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 | |
|---|---|---|---|---|
| Valine SCHEMBL11201581 | 0.86 | SLC7A5 (0.54) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Phenylacetic Acid SCHEMBL8902802 | 0.86 | AKR1B1 (0.61) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Diphenylmethane SCHEMBL2494259 | 0.82 | SLC7A5 (0.58) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Valine SCHEMBL27680015 | 0.81 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Valine SCHEMBL4726209 | 0.81 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Valine SCHEMBL4716541 | 0.81 | SLC7A5 (0.56) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Ethane SCHEMBL10956080 | 0.80 | CES1 (0.58) | MEN1KMT2ATSHRPTGS1CES2 | |
| Methyl Alcohol SCHEMBL3883089 | 0.80 | CES1 (0.58) | MEN1KMT2ATSHRPTGS1CES2 | |
| SCHEMBL27293995 | 0.80 | CES1 (0.64) | MEN1CYP2C9KMT2ATSHRPTGS1 | |
| SCHEMBL1493 | 0.80 | CES1 (0.64) | MEN1CYP2C9KMT2ATSHRPTGS1 |
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-6451734-B1 | Substituted 3-benzylpyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |