Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | CDC42 | P60953 | 1/20 | 0.57 |
| ▸ | RAC1 | P63000 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31512445 | 1.00 | PTGS2 (0.61) | PTGS2PTGS1AKR1C3AKR1C2CYP2D6 | |
| SCHEMBL28027161 | 0.88 | ADRA1A (0.58) | PTGS2PTGS1CYP2D6ADRA2AADRA1A | |
| SCHEMBL30946604 | 0.86 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL490635 | 0.86 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL4981399 | 0.85 | CYP2D6 (0.58) | CYP2D6ADRA2AADRA1ACYP1A2TSHR | |
| SCHEMBL3660477 | 0.83 | ADRA1A (0.54) | PTGS2PTGS1AKR1C3AKR1C2CYP2D6 | |
| SCHEMBL6372641 | 0.83 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL28936060 | 0.82 | ADRA1A (0.65) | PTGS2PTGS1AKR1C3AKR1C2CYP2D6 | |
| SCHEMBL8638138 | 0.82 | CYP2D6 (0.53) | PTGS2PTGS1CYP2D6ADRA2AADRA1A | |
| SCHEMBL23414454 | 0.81 | ADRA1A (0.59) | CYP2D6ADRA2AADRA1ACYP1A2TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107303298-B | Pharmaceutical application of benzo [ g ] heteroaryl [ a, g ] quinolizine compound and preparation method thereof | 中国科学院上海药物研究所 | 2021-06-22 | — | — | CN | disclosed |
| CN-102295549-B | Benzindene triptycene and spirofluorene-benzindene triptycene derivative and preparation method thereof | UNIV EAST CHINA NORMAL | 2013-06-19 | — | — | CN | disclosed |
| US-8268293-B2 | Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives | MERCK PATENT GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| CN-101163659-B | Antioxidants | MERCK PATENT GMBH | 2012-09-05 | — | — | CN | disclosed |
| US-8106233-B2 | Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing | MERCK PATENT GMBH (DE) | 2012-01-31 | — | — | US | disclosed |
| CN-102295549-A | Benzindene triptycene and spirofluorene-benzindene triptycene derivative and preparation method thereof | — | 2011-12-28 | — | — | CN | disclosed |
| US-20080171004-A1 | Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives | MERCK PATENT GMBH (DE) | 2008-07-17 | — | — | US | disclosed |
| US-20080152603-A1 | Antioxidants | SUSONITY Commercial GmbH (DE) | 2008-06-26 | — | — | US | disclosed |
| CN-101203278-A | Ultraviolet protection | MERCK PATENT GMBH (DE) | 2008-06-18 | — | — | CN | disclosed |
| CN-101163659-A | Antioxidants | MERCK PATENT GMBH (DE) | 2008-04-16 | — | — | CN | disclosed |
| EP-1871339-A1 | UV PROTECTION | Merck Patent GmbH (DE) | 2008-01-02 | — | — | EP | disclosed |
| EP-1871735-A1 | ANTIOXIDANTS | Merck Patent GmbH (DE) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006111233-A1 | ANTIOXIDANTS | MERCK PATENT GMBH (DE) | 2006-10-26 | — | — | WO | disclosed |
| WO-2006111234-A1 | UV PROTECTION | MERCK PATENT GMBH (DE) | 2006-10-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080152603-A1 | Antioxidants | GPX4, GPX1, CAT | PTGS2 320/4885PTGS1 262/4885AKR1C3 289/4885 |
| US-20080171004-A1 | Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives | HPD, HAAO, UGT1A6 | PTGS2 1873/4885PTGS1 1937/4885AKR1C3 733/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.