Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31050235 | 0.82 | CA2 (0.36) | ALDH1A1TSHRNOS1NOS2CA2 | |
| Trifluoroacetic Acid SCHEMBL28224030 | 0.82 | CA2 (0.36) | ALDH1A1TSHRNOS1NOS2CA2 | |
| Pivalate SCHEMBL10759742 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRKDM4ELMNACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL9060237 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRNOS1NOS2CA2 | |
| Acetic Acid SCHEMBL7438398 | 0.79 | FFAR3 (0.47) | ALDH1A1TSHRCA2KDM4ELMNA | |
| Oxalic Acid SCHEMBL919497 | 0.79 | ALOX15 (0.40) | ALDH1A1TSHRCA2KDM4ELMNA | |
| Trifluoroacetic Acid SCHEMBL2267588 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRNOS1NOS2CA2 | |
| Oxalic Acid SCHEMBL10737273 | 0.79 | ALOX15 (0.40) | ALDH1A1TSHRCA2KDM4ELMNA | |
| Trifluoroacetic Acid SCHEMBL1731636 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL29615579 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRNOS1NOS2CA2 |
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-1090019-B1 | ADENOSINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-09-29 | — | — | EP | disclosed |
| EP-1447407-A1 | Adenosine derivatives | GLAXO GROUP LIMITED (GB) | 2004-08-18 | — | — | EP | disclosed |
| US-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |
| US-20030096788-A1 | Adenosine derivatives | GLAXO WELLCOME INC. | 2003-05-22 | — | — | US | disclosed |
| US-6492348-B1 | Adenosine derivatives | SMITHKLINE BEECHAM CORPORATION | 2002-12-10 | — | — | US | disclosed |
| EP-1090019-A1 | ADENOSINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067262-A1 | ADENOSINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-29 | — | — | 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 (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-20030096788-A1 | Adenosine derivatives | ADORA3, ADORA2A, ADORA1 | ALDH1A1 239/4885TSHR 627/4885NOS1 1796/4885 |
“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.