Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 6/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7534122 | 0.98 | ITGB1 (0.46) | ITGB1ITGA4CA2SSTR3MEN1 | |
| SCHEMBL6582470 | 0.95 | ITGB1 (0.43) | ITGB1ITGA4CA2SSTR3MEN1 | |
| SCHEMBL6582233 | 0.92 | ITGB1 (0.53) | ITGB1ITGA4CA2KMT2A | |
| SCHEMBL6582314 | 0.90 | ITGB1 (0.53) | ITGB1ITGA4CA2SSTR3KMT2A | |
| SCHEMBL6581477 | 0.88 | ITGB1 (0.49) | ITGB1ITGA4KMT2AHDAC1HDAC6 | |
| SCHEMBL6580762 | 0.87 | ITGB1 (0.51) | ITGB1ITGA4CA2SSTR3KMT2A | |
| SCHEMBL6582642 | 0.86 | ITGB1 (0.49) | ITGB1ITGA4KMT2AHDAC1HDAC6 | |
| SCHEMBL6585963 | 0.85 | SSTR3 (0.44) | ITGB1ITGA4CA2SSTR3MEN1 | |
| SCHEMBL6583446 | 0.85 | ITGB1 (0.44) | ITGB1ITGA4CA2MEN1KMT2A | |
| SCHEMBL6582448 | 0.84 | ITGB1 (0.40) | ITGB1ITGA4SSTR3MEN1KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154993-B1 | THIOAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6479666-B2 | ANTIINFLAMMATORY AGENTS | HOFFMAN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| US-6458844-B2 | ANTIINFLAMMATORY AGENTS | HOFFMANN-LA ROCHE INC. | 2002-10-01 | — | — | US | disclosed |
| US-6426348-B1 | FOR THERAPY OF INFLAMMATION ASSOCIATED WITH CHRONIC INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS (RA), MULTIPLE SCLEROSIS, (MS), ASTHMA, AND INFLAMMATORY BOWEL DISEASE (I BD) | HOFFMANN-LA ROCHE INC. | 2002-07-30 | — | — | US | disclosed |
| US-6423728-B1 | INHIBIT BINDING OF VASCULAR CELL ADHESION MOLECULE-1 (VCAM-1) TO THE INTEGRIN VLA-4; USE AS ANTIINFLAMMATORY AGENTS AGAINST RHEMATOID ARTHRITIS, MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE AND ASTHMA | HOFFMAN-LA ROCHE INC. | 2002-07-23 | — | — | US | disclosed |
| US-20020052508-A1 | Heterocyclic thioamide derivatives | HULL KENNETH G (US) | 2002-05-02 | — | — | US | disclosed |
| US-20020040148-A1 | Diphenyl heterocyclic thioamide derivatives | HULL KENNETH G (US) | 2002-04-04 | — | — | US | disclosed |
| US-20020028933-A1 | Thioamide derivatives | HULL KENNETH GREGORY (US) | 2002-03-07 | — | — | US | disclosed |
| US-20020010338-A1 | PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES | HULL KENNETH G (US) | 2002-01-24 | — | — | US | disclosed |
| EP-1154993-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| US-20010041799-A1 | Diephenyl carbocyclic thioamide derivatives | HULL KENNETH G (US) | 2001-11-15 | — | — | US | disclosed |
| US-6288267-B1 | AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION | HOFFMANN-LA ROCHE INC. | 2001-09-11 | — | — | US | disclosed |
| WO-2000048994-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-24 | — | — | 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 (5 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-20020028933-A1 | Thioamide derivatives | VCAM1, ICAM1, LTB4R | ITGB1 9/4885ITGA4 8/4885CA2 2590/4885 |
| US-20020010338-A1 | PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES | VCAM1, ICAM1, KCNA4 | ITGB1 34/4885ITGA4 17/4885CA2 2844/4885 |
| US-20020040148-A1 | Diphenyl heterocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | ITGB1 11/4885ITGA4 9/4885CA2 2713/4885 |
| US-20010041799-A1 | Diephenyl carbocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | ITGB1 18/4885ITGA4 17/4885CA2 1632/4885 |
| US-20020052508-A1 | Heterocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | ITGB1 18/4885ITGA4 7/4885CA2 2629/4885 |
“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.