Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL27848983 | 0.88 | CNR2 (0.41) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL10217217 | 0.80 | ACP3 (0.40) | CNR2MAPK1POLBACP3CYP1A2 | |
| Hydrochloric Acid SCHEMBL19244847 | 0.78 | ACP3 (0.39) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL27626779 | 0.78 | CNR2 (0.47) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL3446092 | 0.77 | CNR2 (0.48) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL1927969 | 0.76 | CNR2 (0.49) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL27742156 | 0.76 | ACP3 (0.37) | CNR2MAPK1POLBACP3HSD11B1 | |
| SCHEMBL2699407 | 0.75 | CNR2 (0.44) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL27865868 | 0.74 | CNR2 (0.42) | CNR2MAPK1POLBACP3CYP1A2 | |
| SCHEMBL19244870 | 0.74 | CNR2 (0.40) | CNR2MAPK1POLBACP3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101243081-A | Pyrido[2,3-d]pyrimidine-2,4-diamine compounds as PTP1B inhibitors | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |