Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28450975 | 1.00 | TSHR (0.56) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL28602291 | 0.84 | PARP1 (0.60) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL742364 | 0.80 | TSHR (0.48) | TSHRTDP1AKR1B1KDM1AMAOB | |
| SCHEMBL30297494 | 0.80 | TSHR (0.41) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL1951145 | 0.79 | HRH3 (0.48) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL2066363 | 0.77 | TSHR (0.55) | TSHRTDP1AKR1B1PDE7AKDM1A | |
| SCHEMBL24699351 | 0.76 | TDP2 (0.45) | TDP1PARP1PARP2KDM1A | |
| SCHEMBL11640043 | 0.75 | PDE7A (0.54) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL30817706 | 0.75 | PDE7A (0.54) | TSHRTDP1AKR1B1PARP1PARP2 | |
| SCHEMBL1953691 | 0.74 | HTR2A (0.47) | TSHRTDP1AKR1B1PARP1PARP2 |
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-109678902-B | Organic catalyst with rigid spiro [ indan-1, 2' -pyrrolidine ] skeleton, ligand, synthesis and application | 北京师范大学 | 2020-05-15 | — | — | CN | disclosed |