Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3503753 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL14449391 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL27590251 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL309630 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL27675584 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL25689300 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL25689307 | 0.84 | ALDH1A1 (0.47) | CYP2C19KMT2AELANEMAPTMAPK1 | |
| SCHEMBL5565430 | 0.81 | CYP2C19 (0.64) | CYP2C19KMT2ANPSR1MEN1HTT | |
| SCHEMBL27898157 | 0.77 | CYP2C19 (0.46) | CYP2C19KMT2ANPSR1MEN1HTT | |
| SCHEMBL28987372 | 0.74 | MAPT (0.75) | CYP2C19KMT2ANPSR1MEN1ELANE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105712999-A | Bornyl porphyrin derivative and preparation method thereof | 南京林业大学 | 2016-06-29 | — | — | CN | claimed |
| CN-105712999-A | Bornyl porphyrin derivative and preparation method thereof | 南京林业大学 | 2016-06-29 | — | — | CN | disclosed |
| CN-105440043-A | Bornyl corrole derivative and preparation method therefor | UNIV NANJING FORESTRY | 2016-03-30 | — | — | CN | disclosed |