Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6783703 | 0.98 | TTR (0.42) | TTRFOLH1TSHRHSD17B10HIF1A | |
| SCHEMBL6779107 | 0.81 | TTR (0.43) | TTRTSHRHSD17B10HIF1ACYP2C9 | |
| SCHEMBL6774969 | 0.80 | TSHR (0.48) | TSHRHSD17B10ALOX15ALDH1A1HPGD | |
| SCHEMBL6778049 | 0.78 | FABP3 (0.43) | CRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL6378952 | 0.77 | TPMT (0.39) | HSD17B10THRBAKR1C3AKR1C2TDP1 | |
| SCHEMBL7356667 | 0.77 | SLC1A1 (0.39) | AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL6378948 | 0.77 | TPMT (0.39) | HSD17B10THRBAKR1C3AKR1C2TDP1 | |
| SCHEMBL2420908 | 0.77 | TSHR (0.44) | TTRFOLH1TSHRHSD17B10HIF1A | |
| Hydrochloric Acid SCHEMBL6374293 | 0.76 | GPR139 (0.37) | CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6374289 | 0.76 | GPR139 (0.37) | CYP2C9CYP2C19 |
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 1 patent. 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 |