Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16479570 | 0.94 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9PTGS2CA2 | |
| SCHEMBL28465669 | 0.93 | PTGS2 (0.52) | CYP3A4CYP2D6CYP2C9PTGS2ALDH1A1 | |
| SCHEMBL15290259 | 0.88 | PTGS2 (0.44) | PTGS2CA2CA1CYP51A1TP53 | |
| SCHEMBL30874461 | 0.83 | CYP51A1 (0.49) | PTGS2CA2CA1CYP51A1ESR1 | |
| Benzene SCHEMBL27944544 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9PTGS2CA2 | |
| SCHEMBL14080289 | 0.81 | TP53 (0.43) | PTGS2CA2CA1CYP51A1TP53 | |
| SCHEMBL13455265 | 0.79 | PLAU (0.47) | CYP2C9PTGS2CA2CA1GRIN2D | |
| Ammonia Solution, Strong SCHEMBL28172254 | 0.79 | TP53 (0.42) | PTGS2CA2CA1CYP51A1TP53 | |
| SCHEMBL13526985 | 0.79 | CYP51A1 (0.38) | CYP3A4CYP2D6CYP2C9PTGS2CA2 | |
| SCHEMBL30102216 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9PTGS2CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111748216-B | Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction | 苏州美嘉写智能显示科技有限公司 | 2021-12-31 | — | — | CN | claimed |
| CN-111718596-A | Method for synthesizing novel phthalocyanine D-pi-A type solar cell dye through click reaction | 南京优写智能科技有限公司 | 2020-09-29 | — | — | CN | claimed |
| CN-111718596-B | Method for synthesizing novel phthalocyanine D-pi-A type solar cell dye through click reaction | 苏州菏健新材料科技有限公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-111748216-A | Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction | 苏州美嘉写智能显示科技有限公司 | 2020-10-09 | — | — | CN | disclosed |
| CN-111718596-A | Method for synthesizing novel phthalocyanine D-pi-A type solar cell dye through click reaction | 南京优写智能科技有限公司 | 2020-09-29 | — | — | CN | disclosed |
| EP-1319007-B9 | FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2007-10-10 | — | — | EP | disclosed |