Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | TACR2 | P21452 | 2/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | SHBG | P04278 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.63 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | TST | Q16762 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL24459594 | 0.98 | ESR1 (0.59) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL20109294 | 0.91 | CA2 (0.54) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8500261 | 0.88 | ESR1 (0.65) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL4254717 | 0.88 | ESR1 (0.65) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL4037557 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6681490 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL2511615 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6684861 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10758361 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL561020 | 0.88 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
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 | ESR1 911/4885ADRA2A 331/4885ADORA3 210/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | ESR1 820/4885ADRA2A 306/4885ADORA3 261/4885 |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | EDNRA, ADGRE5, GPR65 | ESR1 665/4885ADRA2A 889/4885ADORA3 17/4885 |
“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.