Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.61 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7786867 | 0.99 | NQO2 (0.60) | NQO2HTR2AKDM4EALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7779882 | 0.80 | NQO2 (0.61) | NQO2HTR2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7784300 | 0.77 | NQO2 (1.00) | NQO2MTNR1AMTNR1B | |
| SCHEMBL27547177 | 0.76 | NQO2 (0.60) | NQO2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4419991 | 0.75 | ESR1 (0.53) | NQO2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4895916 | 0.67 | METAP1 (0.61) | HTR2AKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10394812 | 0.67 | METAP1 (0.46) | NQO2HTR2AMTNR1AMTNR1BACHE | |
| SCHEMBL10394815 | 0.67 | METAP1 (0.46) | NQO2HTR2AMTNR1AMTNR1BACHE | |
| SCHEMBL3287680 | 0.67 | ALDH1A1 (0.56) | HTR2AKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3849905 | 0.67 | ESR1 (0.59) | NQO2ACHEMAOBNPY5RESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0848699-A1 | BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-06-24 | — | — | EP | disclosed |
| EP-0781271-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-07-02 | — | — | EP | disclosed |
| WO-1997005098-A1 | BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-02-13 | — | — | WO | disclosed |
| WO-1996008466-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-21 | — | — | WO | disclosed |