Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.46 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.46 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644872 | 0.86 | MAOB (0.50) | CYP3A4NFKB1NFKB2RELABCHE | |
| SCHEMBL12629295 | 0.86 | HPGD (0.53) | MAPTALDH1A1HPGDLMNARAB9A | |
| SCHEMBL20278560 | 0.86 | HPGD (0.53) | MAPTALDH1A1HPGDLMNARAB9A | |
| SCHEMBL15499959 | 0.83 | HPGD (0.46) | ALDH1A1HPGDLMNARAB9ANPC1 | |
| SCHEMBL28972023 | 0.83 | MAOB (0.44) | CYP3A4NFKB1NFKB2RELABCHE | |
| SCHEMBL28639510 | 0.81 | TUBB4A (0.48) | CYP3A4NFKB1NFKB2RELABCHE | |
| SCHEMBL14429956 | 0.78 | AKR1C3 (0.41) | MAPTALDH1A1HPGDRAB9APKM | |
| SCHEMBL28657869 | 0.78 | CYP1B1 (0.70) | CYP3A4NFKB1NFKB2RELABCHE | |
| SCHEMBL9897113 | 0.78 | CES2 (0.50) | MAPTALDH1A1LMNAKMT2ARAB9A | |
| SCHEMBL12328537 | 0.78 | CES2 (0.50) | MAPTALDH1A1LMNAKMT2ARAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113444017-B | Diphenyl-sulfide-ether-ketone oxime ester compound, preparation method, composition and application | 优禘股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-113444017-A | Diphenyl sulfide ether ketone oxime ester compound, preparation method, composition and application | 优禘股份有限公司 | 2021-09-28 | — | — | CN | disclosed |