Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28846383 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1LTA4HCYP1A2 | |
| Bromobenzene SCHEMBL28052126 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TDP1LTA4HCYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL18280249 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL16210948 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TDP1LTA4HCYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL27276701 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1LTA4HCYP1A2 | |
| Biphenyl SCHEMBL27599273 | 0.82 | TSHR (0.55) | ALDH1A1TSHRTDP1LTA4HCYP1A2 | |
| Benzene SCHEMBL28552874 | 0.81 | TSHR (0.75) | ALDH1A1TSHRTDP1LTA4HLMNA | |
| Benzene SCHEMBL3206244 | 0.81 | TSHR (0.75) | ALDH1A1TSHRTDP1LTA4HLMNA | |
| Toluene SCHEMBL8845046 | 0.80 | TSHR (0.52) | ALDH1A1TSHRTDP1LTA4HLMNA | |
| Biphenyl SCHEMBL28541047 | 0.80 | TSHR (0.59) | ALDH1A1TSHRTDP1LTA4HCYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106661055-B | Heterocyclic compound and the organic luminescent device for using the heterocyclic compound | 喜星素材株式会社 | 2019-09-13 | — | — | CN | disclosed |
| CN-106661055-A | Heterocyclic compound and organic light emitting device using same | 喜星素材株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-101597280-B | Compound used as seven-pass transmembrane protein and based on sag structure | UNIV PEKING SHENZHEN GRAD SCHO | 2013-06-05 | — | — | CN | disclosed |
| CN-101597280-A | Compound as seven membrane-spanning protein inhibitor based on the SAG structure | SHENZHEN SHENGJIE BIOLOG TECHN (CN) | 2009-12-09 | — | — | CN | disclosed |
| CN-1153772-C | Dioxaspirocyclic compound with unsaturated side chain and its preparing process | 中国科学院上海有机化学研究所 | 2004-06-16 | — | — | CN | disclosed |
| CN-1296950-A | Dioxaspirocyclic compound with unsaturated side chain and its preparing process | SHANGHAI INST ORGANIC CHEM (CN) | 2001-05-30 | — | — | CN | disclosed |
| CN-1073430-A | Benzanilide derivatives | GLAXO GROUP LTD (GB) | 1993-06-23 | — | — | CN | disclosed |