Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 6/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28847949 | 0.80 | — | — | |
| Water SCHEMBL27669581 | 0.79 | — | — | |
| SCHEMBL27294646 | 0.78 | HTT (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22415256 | 0.76 | ACHE (0.46) | HSD17B1HSD17B2ACHESIGMAR1CYP3A4 | |
| SCHEMBL28168182 | 0.76 | ALDH1A1 (0.46) | ACHECYP3A4CYP2C19TDP1LMNA | |
| SCHEMBL28838693 | 0.76 | HSD17B10 (0.43) | CYP2C9TDP1LMNACYP1A2MAPT | |
| SCHEMBL18808725 | 0.75 | ACHE (0.44) | HSD17B1HSD17B2ACHESIGMAR1CYP3A4 | |
| SCHEMBL28143850 | 0.74 | LOXL2 (0.45) | MAPTALDH1A1NPC1RAB9APOLB | |
| SCHEMBL27362374 | 0.73 | KMT2A (0.40) | HSD17B2TDP1LMNAMAPTALDH1A1 | |
| SCHEMBL1697445 | 0.71 | ACHE (0.55) | HSD17B1HSD17B2ACHESIGMAR1CYP3A4 |
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-107056799-B | The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, application and anti-breast cancer medicines composition | 武汉宏兹生物技术有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107056799-A | The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, using and anti-breast cancer medicines composition | 武汉宏兹生物技术有限公司 | 2017-08-18 | — | — | CN | disclosed |