Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635973 | 0.83 | PDE4B (0.73) | PDE4BTP53 | |
| SCHEMBL28298882 | 0.82 | TSHR (0.50) | TSHRNPSR1MEN1KMT2AHPGD | |
| SCHEMBL13754028 | 0.73 | PDE4B (0.73) | PDE4B | |
| SCHEMBL27568903 | 0.73 | CSF1R (0.71) | — | |
| SCHEMBL21870539 | 0.72 | TSHR (0.66) | TSHRNPSR1MEN1KMT2AHPGD | |
| SCHEMBL18912123 | 0.71 | PDE4B (0.62) | PDE4B | |
| SCHEMBL1311332 | 0.71 | PDE4B (0.71) | PDE4BTP53 | |
| SCHEMBL18343125 | 0.71 | ALDH1A1 (0.61) | TSHRNPSR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL259608 | 0.71 | ALDH1A1 (0.61) | TSHRNPSR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL882567 | 0.71 | MEN1 (0.76) | TSHRNPSR1MEN1KMT2AMAPK10 |
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-109789150-A | It is certain to be used to treat bronchiectasic (2S)-N- [(1S) -1- cyano -2- phenethyl] -1,4- oxazepine cycloheptane -2- formamide | 英斯梅德股份有限公司 | 2019-05-21 | — | — | CN | disclosed |