Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.45 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5877648 | 0.80 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL5877532 | 0.80 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL5877614 | 0.80 | GABBR2 (0.42) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL23731633 | 0.77 | MEN1 (0.45) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL28065966 | 0.77 | ACHE (0.46) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL11079558 | 0.74 | HTR2A (0.58) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL12193938 | 0.73 | HTR2A (0.42) | LMNACYP1A2MEN1KMT2AALOX5 | |
| Hydrochloric Acid SCHEMBL1866896 | 0.72 | HTR2A (0.56) | GABBR2GABBR1LMNACYP2C9CYP1A2 | |
| SCHEMBL11084494 | 0.70 | ALOX5 (0.46) | CYP1A2CYP2D6MEN1KMT2AALOX5 | |
| SCHEMBL17968651 | 0.69 | ALDH1A1 (0.38) | LMNACYP1A2CYP3A4ADORA3CYP2D6 |
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-105461578-A | Synthesis method for 2,2-dimethyl-5-(4-bromophenyl)-6-amino-3-hexanone | UNIV CHANGZHOU | 2016-04-06 | — | — | CN | claimed |
| CN-105461578-A | Synthesis method for 2,2-dimethyl-5-(4-bromophenyl)-6-amino-3-hexanone | UNIV CHANGZHOU | 2016-04-06 | — | — | CN | disclosed |
| CN-105461578-A | Synthesis method for 2,2-dimethyl-5-(4-bromophenyl)-6-amino-3-hexanone | UNIV CHANGZHOU | 2016-04-06 | — | — | CN | disclosed |
| CN-105461578-A | Synthesis method for 2,2-dimethyl-5-(4-bromophenyl)-6-amino-3-hexanone | UNIV CHANGZHOU | 2016-04-06 | — | — | CN | disclosed |