Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | FABP6 | P51161 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL29088804 | 0.92 | ALDH1A1 (0.36) | TSHRLMNAALOX12ACHEALDH1A1 | |
| Biphenyl SCHEMBL4173337 | 0.84 | KMT2A (0.39) | LMNAALDH1A1GAAMAPTHSD17B10 | |
| Phenol SCHEMBL15020204 | 0.81 | CA12 (0.42) | FABP6GRM5KMT2AGLAKEAP1 | |
| SCHEMBL19171447 | 0.80 | PDE3B (0.46) | TSHRALDH1A1PDE3BPDE3AKDM4E | |
| SCHEMBL4198 | 0.78 | — | — | |
| SCHEMBL80643 | 0.78 | — | — | |
| SCHEMBL969300 | 0.78 | — | — | |
| SCHEMBL4621927 | 0.78 | FABP6 (0.35) | TSHRLMNAALDH1A1GAAMAPT | |
| Benzaldehyde SCHEMBL3368830 | 0.78 | ALDH1A1 (0.50) | LMNAALDH1A1FABP6MEN1KMT2A | |
| SCHEMBL8137134 | 0.77 | TSHR (0.44) | TSHRMAPTFABP6NPC1PARP10 |
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-112174870-A | Preparation method and medicinal application of (R) -1-alkanoyl-2-substituted pyrrolidine-2-formamide | 蔡霈 | 2021-01-05 | — | — | CN | disclosed |