Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | MITF | O75030 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6776098 | 1.00 | NR1H4 (0.49) | NR1H4ALDH1A1RAB9ANPC1MITF | |
| SCHEMBL6772591 | 0.88 | RAB9A (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL6772589 | 0.88 | RAB9A (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL6783883 | 0.85 | MEN1 (0.48) | NR1H4ALDH1A1RAB9ANPC1MITF | |
| SCHEMBL6783882 | 0.85 | MEN1 (0.48) | NR1H4ALDH1A1RAB9ANPC1MITF | |
| SCHEMBL6778045 | 0.79 | RAB9A (0.56) | ALDH1A1RAB9ANPC1MITFSMN1; SMN2 | |
| SCHEMBL6778042 | 0.79 | RAB9A (0.56) | ALDH1A1RAB9ANPC1MITFSMN1; SMN2 | |
| SCHEMBL6778088 | 0.79 | TSHR (0.57) | ALDH1A1RAB9ANPC1MITFSMN1; SMN2 | |
| SCHEMBL6778090 | 0.79 | TSHR (0.57) | ALDH1A1RAB9ANPC1MITFSMN1; SMN2 | |
| SCHEMBL7346962 | 0.78 | ITGB1 (0.47) | — |
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 |