Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NMT1 | P30419 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27364117 | 0.85 | SLC6A3 (0.54) | CYP3A4CYP2C9CYP2C19HTR2CSLC6A2 | |
| SCHEMBL6594948 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL27364115 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL7373506 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL27513550 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL21178241 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL10367670 | 0.81 | ITGB3 (0.46) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL3284436 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL27508740 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19NMT1TSHR | |
| SCHEMBL28137414 | 0.78 | CYP2C19 (0.45) | CYP3A4CYP2C9CYP2C19NMT1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1052231-C | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2000-05-10 | — | — | CN | disclosed |
| CN-1097421-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1995-01-18 | — | — | CN | disclosed |