Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.52 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.48 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24200394 | 0.88 | BCHE (0.59) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20158842 | 0.87 | LMNA (0.53) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20135910 | 0.78 | LMNA (0.56) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL12949361 | 0.77 | LMNA (0.80) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20158833 | 0.76 | LMNA (0.54) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20158976 | 0.75 | LMNA (0.52) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20139098 | 0.73 | LMNA (0.55) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL23391007 | 0.72 | LMNA (0.83) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL1082631 | 0.71 | HIF1A (1.00) | LMNACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL20135890 | 0.71 | AKR1C3 (0.53) | LMNACYP1A2CYP2D6CYP2C9HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538529-B1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS | MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) | 2022-01-19 | — | — | EP | disclosed |