Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10343591 | 0.91 | MEN1 (0.38) | ACHEMEN1CYP1A2KMT2ATSHR | |
| SCHEMBL9340199 | 0.88 | ACHE (0.33) | ACHETSHR | |
| SCHEMBL9337971 | 0.85 | TSHR (0.38) | ACHETSHR | |
| SCHEMBL9337737 | 0.83 | ACHE (0.33) | ACHETSHR | |
| SCHEMBL8971494 | 0.80 | ACHE (0.36) | ACHEMEN1KMT2ATSHRPPARD | |
| SCHEMBL10343570 | 0.76 | TSHR (0.32) | TSHR | |
| SCHEMBL9062812 | 0.76 | MEN1 (0.42) | MEN1CYP1A2KMT2ATSHRL3MBTL1 | |
| SCHEMBL10343589 | 0.75 | ACHE (0.35) | ACHETSHRPPARDTP53TDP1 | |
| SCHEMBL9336312 | 0.75 | ACHE (0.33) | ACHEMEN1KMT2ATSHRPPARD | |
| SCHEMBL9142428 | 0.74 | ACHE (0.34) | ACHEMEN1CYP1A2KMT2ATSHR |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1575964-A4 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2007-04-04 | — | — | EP | disclosed |
| EP-1575964-A2 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-09-21 | — | — | EP | disclosed |
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | DOHERTY GEORGE A (US) | 2005-03-31 | — | — | US | disclosed |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | MERCK SHARP & DOHME CORP. | 2005-01-27 | — | — | US | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | DOHERTY GEORGE A (US) | 2004-03-25 | — | — | US | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062248-A2 | N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| US-5457095-A | Treating diseases responsive to muscle stimulation; agonist for gamma-aminobutyric acid receptor | CIBA-GEIGY CORPORATION (US) | 1995-10-10 | — | — | US | disclosed |
| US-5243062-A | Muscle relaxants, analgesics, nervous system disorders, nootropics or antidepressants | CIBA-GEIGY CORPORATION (US) | 1993-09-07 | — | — | US | disclosed |
| US-5004826-A | Chemical Intermediates For Muscle Relaxants, Muscle Stimulants, Analgesics, Anticonvulsants, Antidepressants, Nootropics, And Drugs For Reducing Drug Withdrawal Symptoms | CIBA-GEIGY CORPORATION (US) | 1991-04-02 | — | — | US | disclosed |
| EP-0181833-B1 | SUBSTITUTED PROPANE-PHOSPHONOUS ACID COMPOUNDS | CIBA-GEIGY AG (CH) | 1990-05-02 | — | — | EP | disclosed |
| US-4908465-A | Ethyl phenyl-3-nitropropyl(diethoxymethyl)phosphinate derivatives | CIBA-GEIGY CORPORATION (US) | 1990-03-13 | — | — | US | disclosed |
| US-4772738-A | MUSCLE RELAXANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANT | CIBA-GEIGY CORPORATION (US) | 1988-09-20 | — | — | US | disclosed |
| US-4656298-A | MUSCLE RELAXANTS, STIMULANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS | CIBA-GEIGY CORPORATION (US) | 1987-04-07 | — | — | US | disclosed |
| EP-0181833-A1 | Substituted propane-phosphonous acid compounds | CIBA-GEIGY AG (CH) | 1986-05-21 | — | — | EP | 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-20050070506-A1 | Selective s1p1/edg1 receptor agonists | S1PR1, S1PR3, S1PR5 | ACHE 4642/4885MEN1 1123/4885CYP1A2 2795/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | ACHE 4698/4885MEN1 838/4885CYP1A2 3373/4885 |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | EDNRA, ADGRE5, GPR65 | ACHE 4165/4885MEN1 2395/4885CYP1A2 2039/4885 |
“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.