Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26517 | 0.90 | — | — | |
| SCHEMBL27490451 | 0.87 | — | — | |
| SCHEMBL27563263 | 0.87 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28476554 | 0.86 | ACHE (0.41) | ACHENFE2L2CES2CES1FAAH | |
| SCHEMBL28737718 | 0.86 | ACHE (0.41) | ACHENFE2L2CES2CES1FAAH | |
| SCHEMBL27522230 | 0.81 | ACHE (0.41) | ACHENFE2L2CES2CES1FAAH | |
| SCHEMBL2095994 | 0.76 | TAAR1 (0.54) | ACHENFE2L2CYP3A4TAAR1ESR2 | |
| Zinc Chloride SCHEMBL27942306 | 0.74 | CA12 (0.36) | CES2CES1 | |
| Zinc Chloride SCHEMBL28148263 | 0.73 | ALDH1A1 (0.42) | MGLLCYP3A4CHRM5TAAR1PARP1 | |
| SCHEMBL5541876 | 0.71 | MMP2 (0.40) | NFE2L2ALDH1A1GAAMAPTSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084800-A | Compounds and uses thereof | 詹森药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084801-A | Compounds and uses thereof | 詹森药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-112312913-B | Compounds and uses thereof | 詹森药业有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-105705500-A | Amide compounds for the treatment of HIV | 吉利德科学公司 | 2016-06-22 | — | — | CN | disclosed |