Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.35 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18632804 | 0.88 | CA12 (0.41) | CA12CA2CA9SMN1; SMN2ALDH1A1 | |
| SCHEMBL19490684 | 0.88 | MAPT (0.54) | CA12CA2CA9SMN1; SMN2ALDH1A1 | |
| SCHEMBL19490692 | 0.84 | SMN1; SMN2 (0.63) | CA12CA2CA9SMN1; SMN2ALDH1A1 | |
| SCHEMBL19490832 | 0.84 | MAPT (0.47) | CA12CA2CA9SMN1; SMN2ALDH1A1 | |
| SCHEMBL19490943 | 0.82 | SIRT2 (0.46) | CA12CA2CA9ALDH1A1HPGD | |
| SCHEMBL19490686 | 0.79 | MAPT (0.56) | SMN1; SMN2ALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL19490647 | 0.79 | DHODH (0.56) | SMN1; SMN2ALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL19732203 | 0.78 | L3MBTL1 (0.50) | CA12CA2CA9SMN1; SMN2ALDH1A1 | |
| SCHEMBL19490683 | 0.77 | PTGS2 (0.48) | CA2CA9SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL19524278 | 0.74 | KDM4E (0.46) | CA12CA2CA9SMN1; SMN2ALDH1A1 |
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-9796684-B2 | Materials for organic electroluminescence devices | MERCK PATENT GMBH (DE) | 2017-10-24 | — | — | US | disclosed |