Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11156692 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL3038765 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL154259 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2PKM | |
| 1,3-Dimethoxybenzene SCHEMBL2179669 | 0.85 | ACHE (0.54) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,4-Dimethoxybenzene SCHEMBL5960077 | 0.82 | CA1 (0.65) | ALDH1A1PKMCYP3A4CYP2A6CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL11881437 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP19A1 | |
| SCHEMBL3061892 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP19A1 | |
| SCHEMBL2205517 | 0.79 | RAPGEF4 (0.44) | ALDH1A1CYP1A1CYP1B1CYP1A2ESR1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28834629 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2ESR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566241-A | 1-sulfonamide-4-aryloxy compound, preparation method and medical application of 1-sulfonamide-4-aryloxy compound | UNIV CHINA PHARMA | 2016-05-11 | — | — | CN | disclosed |
| US-8030499-B2 | 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2011-10-04 | — | — | US | disclosed |
| CN-101423517-B | Gamma-carbolines derivates as well as preparation method and application thereof | UNIV ZHEJIANG | 2011-09-14 | — | — | CN | disclosed |
| CN-100486963-C | Sulfonium salt compound | WAKO PURE CHEM IND LTD (JP) | 2009-05-13 | — | — | CN | disclosed |
| CN-101423517-A | Gamma-carbolines derivates as well as preparation method and application thereof | UNIV ZHEJIANG (CN) | 2009-05-06 | — | — | CN | disclosed |
| US-20080318923-A1 | 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |
| CN-101316813-A | Process for preparing vitamin D derivatives by conversion | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | CN | disclosed |
| CN-1302799-A | Sulfonium salt compound | WAKO PURE CHEM IND LTD (JP) | 2001-07-11 | — | — | CN | 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 (1 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-20080318923-A1 | 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle | AVPR1B, AVPR1A, AVPR2 | ALDH1A1 2628/4885CYP1A1 812/4885CYP1B1 652/4885 |
“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.