Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL248853 | 0.79 | SMN1; SMN2 (0.42) | SMN1; SMN2NOS2ATMNPC1ALDH1A1 | |
| SCHEMBL19591078 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2NOS2ATMNPC1ALDH1A1 | |
| SCHEMBL2105815 | 0.77 | SMN1; SMN2 (0.61) | SMN1; SMN2ATMNPC1ALDH1A1RAB9A | |
| SCHEMBL18083403 | 0.76 | TSHR (0.50) | SMN1; SMN2NOS2ATMNPC1ALDH1A1 | |
| SCHEMBL31061815 | 0.74 | MAPK1 (0.61) | NOS2ATMALDH1A1USP2TSHR | |
| SCHEMBL15835577 | 0.74 | MAPK1 (0.61) | NOS2ATMALDH1A1USP2TSHR | |
| SCHEMBL24988791 | 0.73 | SMN1; SMN2 (0.37) | SMN1; SMN2NOS2ATMNPC1ALDH1A1 | |
| SCHEMBL230441 | 0.73 | HTT (0.62) | SMN1; SMN2NPC1ALDH1A1RAB9ATP53 | |
| SCHEMBL28856696 | 0.73 | SMN1; SMN2 (0.44) | SMN1; SMN2ATMNPC1ALDH1A1RAB9A | |
| SCHEMBL29406440 | 0.71 | CYP11B2 (0.51) | TP53MAPK1CYP2D6LMNANPSR1 |
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-106046057-B | N-heterocyclic carbene metal coordination polymer, preparation method thereof and application of N-heterocyclic carbene metal coordination polymer as catalyst | 复旦大学 | 2020-01-10 | — | — | CN | disclosed |