Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12798235 | 0.72 | — | — | |
| SCHEMBL17198679 | 0.67 | MEN1 (0.31) | SMN1; SMN2 | |
| SCHEMBL11513663 | 0.67 | NPC1 (0.55) | ALDH1A1TP53TSHRKDM4ESMN1; SMN2 | |
| SCHEMBL4785865 | 0.65 | MAPT (0.38) | ALDH1A1TSHRHSD11B1SMN1; SMN2 | |
| SCHEMBL16324245 | 0.61 | POLB (0.34) | LMNA | |
| SCHEMBL13844382 | 0.61 | — | — | |
| SCHEMBL17198718 | 0.60 | — | — | |
| SCHEMBL17198881 | 0.58 | HTT (0.32) | — | |
| SCHEMBL16707490 | 0.57 | HTR2A (0.31) | — | |
| SCHEMBL1544451 | 0.56 | MAPT (0.49) | ALDH1A1TSHRKDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015158605-A1 | HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |