Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL8419080 | 0.85 | SIGMAR1 (0.56) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL21899911 | 0.85 | CYP11B1 (0.54) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL11049752 | 0.85 | CYP2A6 (0.54) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL28923744 | 0.82 | — | — | |
| SCHEMBL11265173 | 0.81 | SIGMAR1 (0.61) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL12797257 | 0.81 | SIGMAR1 (0.61) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL8699650 | 0.79 | MAOA (0.39) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL23975908 | 0.74 | CHRNB2 (0.42) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP11B1 | |
| SCHEMBL30225261 | 0.74 | CHRNB2 (0.42) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP11B1 | |
| SCHEMBL17376995 | 0.74 | CHRNB2 (0.42) | CYP1A2SIGMAR1CHRNB2CHRNA4CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4511569-A | Tricyclic lactams and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |
| EP-0102046-A1 | Tricyclic lactams, method for making them, pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-03-07 | — | — | EP | disclosed |