Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 4/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL10528156 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9361405 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL7928406 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9096083 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9100085 | 0.98 | MAPT (0.51) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL3369604 | 0.92 | MAOA (0.53) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL11569857 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL11567371 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575598 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575599 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 |
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 10 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 |
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 | TP53 3879/4885MAPT 4428/4885THRB 1562/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | TP53 3605/4885MAPT 4203/4885THRB 1271/4885 |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | EDNRA, ADGRE5, GPR65 | TP53 2086/4885MAPT 3957/4885THRB 729/4885 |
“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.