Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.71 |
| ▸ | ESR1 | P03372 | 3/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30388209 | 1.00 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL19262009 | 1.00 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL6292055 | 0.97 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL2024694 | 0.97 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL6633071 | 0.94 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL4383765 | 0.91 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL7874731 | 0.91 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL4381705 | 0.91 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL27510461 | 0.91 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL17808449 | 0.89 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2ALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109970789-B | Preparation method of triarylphosphine compound | 大连理工大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-109970789-A | A kind of preparation method of triaryl phosphine compound | 大连理工大学 | 2019-07-05 | — | — | CN | disclosed |
| WO-2019103155-A1 | EUROPIUM COMPLEX | 東ソー株式会社 | 2019-05-31 | — | — | WO | disclosed |
| US-8563465-B2 | Hydrogen storage material | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2013-10-22 | — | — | US | disclosed |
| US-20110160456-A1 | HYDROGEN STORAGE MATERIAL | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |
| US-4472319-A | Preparation of unsaturated nitriles using a surfactant | PHILLIPS PETROLEUM COMPANY (US) | 1984-09-18 | — | — | US | disclosed |
| US-4255352-A | TANK REACTORS IN SERIES | PHILLIPS PETROLEUM COMPANY (US) | 1981-03-10 | — | — | US | disclosed |
| US-4218394-A | FROM UNSATURATED NITRILES AND OLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1980-08-19 | — | — | US | disclosed |
| US-4217303-A | UNSATURATED HYDROCARBON, ADDUCT, UNSATURATED DINITRILE, BY-PRODUCT INHIBITION | PHILLIPS PETROLEUM COMPANY (US) | 1980-08-12 | — | — | US | disclosed |
| US-4200586-A | Inhibiting the carbon-carbon double bond isomerization of substituted or unsubstituted hydrocarbon compounds | PHILLIPS PETROLEUM COMPANY (US) | 1980-04-29 | — | — | US | disclosed |
| US-3996262-A | Method of promoting the reaction of unsaturated nitriles with olefins to produce unsaturated nitriles of increased carbon number | PHILLIPS PETROLEUM COMPANY (US) | 1976-12-07 | — | — | US | disclosed |
| US-3985786-A | REACTING AN OLEFINICALLY UNSATURATED NITRILE, AN OLEFINIC HYDROCARBON AND THEIR MONOADDUCT IN WATER | PHILLIPS PETROLEUM COMPANY (US) | 1976-10-12 | — | — | US | 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-20110160456-A1 | HYDROGEN STORAGE MATERIAL | HVCN1, HIRA, FTH1 | CYP3A4 3826/4885TDP1 3890/4885ESR1 1352/4885 |
“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.