Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28678157 | 0.85 | TUBB4A (0.43) | HTR1BHTR1ACYP1A2CYP3A4LMNA | |
| SCHEMBL3794323 | 0.84 | HTR1B (0.55) | HTR1BHTR1ACYP1A2CYP3A4LMNA | |
| Ethoxycarbonyl Group SCHEMBL27705056 | 0.83 | SLC22A6 (0.44) | HTR1BHTR1ACYP1A2ADRB1MEN1 | |
| Ethoxycarbonyl Group SCHEMBL27891885 | 0.81 | HTR1B (0.51) | HTR1BHTR1ACYP1A2CYP3A4LMNA | |
| Ethoxycarbonyl Group SCHEMBL27369293 | 0.79 | AHR (0.39) | HTR1BHTR1ACYP1A2CYP3A4DRD4 | |
| Ethoxycarbonyl Group SCHEMBL27472078 | 0.79 | DRD4 (0.53) | HTR1BHTR1ACYP1A2CYP3A4LMNA | |
| Ethoxycarbonyl Group SCHEMBL28293163 | 0.78 | PKM (0.41) | HTR1ACYP1A2CYP3A4MEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27771265 | 0.78 | LMNA (0.41) | HTR1BHTR1ACYP1A2CYP3A4LMNA | |
| Ethoxycarbonyl Group SCHEMBL27965810 | 0.78 | PARP1 (0.41) | HTR1BHTR1ADRD4DRD3MAPK1 | |
| Ethoxycarbonyl Group SCHEMBL27524232 | 0.78 | RHEB (0.46) | HTR1BRHEBMAPT |
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-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | claimed |
| CN-102952062-B | Replace benzo-heterocycle compound and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2016-06-08 | — | — | CN | disclosed |
| CN-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | disclosed |