Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL169615 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRLOXLOXL3 | |
| Acetonitrile SCHEMBL368969 | 1.00 | — | — | |
| Acetonitrile SCHEMBL15232266 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRLOXLOXL3 | |
| Methyl Alcohol SCHEMBL16240074 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRLOXLOXL3 | |
| Methyl Alcohol SCHEMBL7165044 | 0.90 | — | — | |
| Water SCHEMBL2192190 | 0.89 | — | — | |
| SCHEMBL25008 | 0.89 | — | — | |
| SCHEMBL30498455 | 0.89 | — | — | |
| SCHEMBL29172255 | 0.86 | — | — | |
| SCHEMBL28283743 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103483477-B | The preparation method of single dispersing surface chain transfer activity functionalized polymer microsphere | NORTHWESTERN POLYTECHNICAL UNIVERSITY (CN) | 2015-10-14 | — | — | CN | claimed |
| US-8809549-B2 | Esters of bendamustine and related compounds, and medical use thereof | Schickaneder, Helmut (DE) | 2014-08-19 | — | — | US | disclosed |
| US-20130289032-A1 | ESTERS OF BENDAMUSTINE AND RELATED COMPOUNDS, AND MEDICAL USE THEREOF | SYNBIAS PHARMA AG (CH) | 2013-10-31 | — | — | US | disclosed |
| US-20130184471-A1 | Process for the preparation of bendamustine hydrochloride and related compounds | AREVIPHARMA GMBH (DE) | 2013-07-18 | — | — | US | disclosed |
| US-20120016121-A1 | Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-01-19 | — | — | US | disclosed |
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | 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 (3 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-20120016121-A1 | Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives | RER1, ABCB11, SLC67A1 | ALDH1A1 43/4885TDP1 2603/4885TSHR 791/4885 |
| US-20130184471-A1 | Process for the preparation of bendamustine hydrochloride and related compounds | FLT3, BHMT, FOLR1 | ALDH1A1 600/4885TDP1 2632/4885TSHR 2842/4885 |
| US-20130289032-A1 | ESTERS OF BENDAMUSTINE AND RELATED COMPOUNDS, AND MEDICAL USE THEREOF | FLT3, FLT4, FLT1 | ALDH1A1 368/4885TDP1 2595/4885TSHR 2077/4885 |
“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.