Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954670 | 0.88 | ALDH1A1 (0.52) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL28094096 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL25119457 | 0.84 | ALDH1A1 (0.54) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL4597041 | 0.84 | ALDH1A1 (0.56) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL27866582 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL18954689 | 0.81 | CASP3 (0.55) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL18954808 | 0.79 | ALDH1A1 (0.58) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL9175289 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 | |
| SCHEMBL5001267 | 0.79 | CHRM5 (0.60) | ALDH1A1ALDH3A1CHRM5PARK7MAPT | |
| SCHEMBL28256999 | 0.79 | ALDH1A1 (0.67) | ALDH1A1ALDH2ALDH3A1CHRM5CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906544-B | A kind of S type 3- hydroxyl -3- alkynyl oxidized indole compounds and its synthetic method and application | 上海交通大学 | 2018-11-16 | — | — | CN | disclosed |
| WO-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |
| CN-105906544-A | S-type 3-hydroxy-3-alkynyloxoindole compound and synthetic method and application thereof | 上海交通大学 | 2016-08-31 | — | — | CN | disclosed |