Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 4/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | GRN | P28799 | 3/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.41 |
| ▸ | ITGAV | P06756 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL742765 | 0.87 | CTSL (0.50) | CYP26A1CTSLCTSSCTSK | |
| SCHEMBL742764 | 0.87 | CTSL (0.50) | CYP26A1CTSLCTSSCTSK | |
| SCHEMBL26985458 | 0.87 | CTSL (0.50) | CYP26A1CTSLCTSSCTSK | |
| SCHEMBL31549516 | 0.87 | CTSL (0.50) | CYP26A1CTSLCTSSCTSK | |
| SCHEMBL390624 | 0.86 | KMT2A (0.53) | CYP26A1PPARGPPARAKMT2ATRPA1 | |
| SCHEMBL391918 | 0.86 | KMT2A (0.53) | CYP26A1PPARGPPARAKMT2ATRPA1 | |
| SCHEMBL391917 | 0.86 | KMT2A (0.53) | CYP26A1PPARGPPARAKMT2ATRPA1 | |
| SCHEMBL18640871 | 0.83 | CYP26A1 (0.42) | CYP26A1ITGB1ITGB3ITGAVCTSS | |
| SCHEMBL6949529 | 0.83 | CYP26A1 (0.56) | CYP26A1ITGB3ITGAVCTSSCTSK | |
| SCHEMBL6760473 | 0.83 | CYP26A1 (0.50) | CYP26A1PPARGPPARAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |