Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.48 |
| ▸ | ITGAV | P06756 | 8/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.48 |
| ▸ | GRM8 | O00222 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL157097 | 1.00 | TBXAS1 (0.50) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| SCHEMBL157096 | 1.00 | TBXAS1 (0.50) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| SCHEMBL5720941 | 1.00 | TBXAS1 (0.50) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL7145554 | 0.98 | TBXAS1 (0.49) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL7145559 | 0.98 | TBXAS1 (0.49) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL6777920 | 0.98 | TBXAS1 (0.49) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL6786456 | 0.98 | TBXAS1 (0.49) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Cadaverine Tartrate SCHEMBL6954532 | 0.92 | KDM4E (0.54) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Cadaverine Tartrate SCHEMBL6954517 | 0.92 | KDM4E (0.54) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B | |
| Trifluoroacetic Acid SCHEMBL9264022 | 0.91 | TBXAS1 (0.44) | TBXAS1SMN1; SMN2ITGB3ITGAVITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4598592-A1 | A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT | Owlstone Medical Limited (GB) | 2025-08-13 | — | — | EP | disclosed |
| CN-120152745-A | Compounds and their use for detecting diseases in exhaled breath of a subject | 奥斯通医疗有限公司 | 2025-06-13 | — | — | CN | disclosed |
| WO-2024074813-A1 | A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT | OWLSTONE MEDICAL LIMITED (GB) | 2024-04-11 | — | — | WO | disclosed |