Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28681602 | 0.80 | SMN1; SMN2 (0.48) | CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP2A6 | |
| SCHEMBL27491063 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19KIF11TDP1 | |
| Hydrochloric Acid SCHEMBL8670716 | 0.78 | MAOB (0.46) | CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP2A6 | |
| SCHEMBL4779153 | 0.78 | CYP2C9 (0.50) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL2067595 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL11264802 | 0.78 | SMN1; SMN2 (0.46) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL28065368 | 0.78 | SMN1; SMN2 (0.52) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL2067126 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL4750696 | 0.78 | KCNN4 (0.44) | CYP1A2CYP2C9CYP2C19KIF11SMN1; SMN2 | |
| SCHEMBL82460 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19KIF11SMN1; 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-104016877-A | Acetylaniline compounds and application thereof in preparation of mirabegron | NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD | 2014-09-03 | — | — | CN | disclosed |
| US-5919990-A | Reclamation of bisphenol tars as feedstock in the synthesis of aminophenylhydroxphenylalkanes | GENERAL ELECTRIC COMPANY (US) | 1999-07-06 | — | — | US | disclosed |
| EP-0837051-A2 | Synthesis of aminophenylhydroxyphenylalkanes form bisphenol tars | GENERAL ELECTRIC COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| EP-0052963-B1 | SECONDARY AMINES | BEECHAM GROUP PLC (GB) | 1985-02-20 | — | — | EP | disclosed |