Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | EPRS1 | P07814 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL27556655 | 0.85 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL600598 | 0.80 | KDM4E (0.66) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| Bromobenzene SCHEMBL27997726 | 0.80 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL32686518 | 0.79 | SLC6A3 (0.41) | HSD17B10KDM4ERXFP1 | |
| SCHEMBL21200015 | 0.79 | SLC6A3 (0.41) | HSD17B10KDM4ERXFP1 | |
| SCHEMBL29548189 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL16652911 | 0.79 | KDM4E (0.44) | HSD17B10KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL1071109 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL2226763 | 0.79 | AKR1C3 (0.61) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL3361120 | 0.78 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 |
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 |