Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | 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 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL28298884 | 0.82 | TSHR (0.53) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL21870539 | 0.71 | TSHR (0.66) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29808279 | 0.71 | MEN1 (0.83) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12077495 | 0.71 | MEN1 (0.83) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11246385 | 0.68 | MEN1 (1.00) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL13319566 | 0.67 | MEN1 (0.65) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6537714 | 0.67 | KMT2A (0.61) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL21829023 | 0.67 | KMT2A (0.78) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL277650 | 0.66 | ALDH1A1 (0.61) | TSHRNPSR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL277775 | 0.66 | ALDH1A1 (0.61) | TSHRNPSR1SMN1; SMN2MEN1KMT2A |
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 |