Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29005796 | 0.83 | TSHR (0.57) | TSHRTP53TDP1CYP3A4CYP2C9 | |
| SCHEMBL86164 | 0.80 | TSHR (0.60) | TSHRTP53TDP1PPARDGAA | |
| SCHEMBL190774 | 0.79 | CTSA (0.36) | TSHR | |
| SCHEMBL11135322 | 0.77 | TSHR (0.50) | TSHRTP53TDP1CYP3A4CYP2C9 | |
| SCHEMBL5908843 | 0.76 | TSHR (0.55) | TSHRTP53TDP1CYP3A4PPARD | |
| SCHEMBL6895576 | 0.76 | TSHR (0.55) | TSHRTP53TDP1CYP3A4PPARD | |
| SCHEMBL16668638 | 0.76 | TSHR (0.55) | TSHRTP53TDP1PPARDGAA | |
| SCHEMBL6014553 | 0.76 | TSHR (0.55) | TSHRTP53TDP1PPARDGAA | |
| SCHEMBL9749945 | 0.76 | TSHR (0.55) | TSHRTP53TDP1PPARDGAA | |
| SCHEMBL6896826 | 0.76 | TSHR (0.55) | TSHRTP53TDP1CYP3A4PPARD |
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 |
|---|---|---|---|---|---|---|---|
| US-20180208594-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER | ACLARIS THERAPEUTICS, INC. | 2018-07-26 | — | — | US | disclosed |
| CN-103127876-B | Quaternary amination organic phosphine surfactant and synthetic method thereof | DALIAN CHEMICAL PHYSICS INST | 2015-01-07 | — | — | CN | disclosed |
| CN-102603613-B | 4- (methoxycarbonyl) -4- (N-phenyl propionamido) -piperidine-1-substituted compound, preparation method and pharmaceutical application | WEST CHINA HOSPITAL OF SICHUAN UNIVERSITY (CN) | 2014-10-15 | — | — | CN | disclosed |
| CN-103127876-A | Quaternary amination organic phosphine surfactant and synthetic method thereof | DALIAN CHEMICAL PHYSICS INST | 2013-06-05 | — | — | CN | disclosed |
| CN-102603613-A | 4- (methoxycarbonyl) -4- (N-phenyl propionamido) -piperidine-1-substituted compound, preparation method and pharmaceutical application | WESTERN CHINA HOSPITAL SCU | 2012-07-25 | — | — | CN | disclosed |
| US-5622999-A | HEAT AND CHEMICAL RESISTANCE | POLINVENT FEJLESZTO, KIVITELEZO ES ERTEKESITO KFT (HU) | 1997-04-22 | — | — | US | disclosed |
| US-4083789-A | METAL COMPOUND AS REACTIVE MODIFIER | MONSANTO COMPANY (US) | 1978-04-11 | — | — | 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-20180208594-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER | ITK, PDXK, WEE1 | TSHR 4069/4885TP53 886/4885TDP1 399/4885 |
“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.