Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | PLG | P00747 | 2/20 | 0.60 |
| ▸ | F2 | P00734 | 1/20 | 0.60 |
| ▸ | PLAU | P00749 | 1/20 | 0.60 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.60 |
| ▸ | KLK1 | P06870 | 1/20 | 0.60 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL4310722 | 0.87 | TSHR (0.84) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7069355 | 0.87 | NPC1 (0.77) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7074145 | 0.85 | MC4R (0.69) | LMNANPC1ALDH1A1GAAMEN1 | |
| SCHEMBL5735860 | 0.84 | F10 (0.80) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9193006 | 0.83 | TSHR (0.72) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL2614250 | 0.82 | TSHR (0.71) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL17938676 | 0.82 | TSHR (0.70) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7218802 | 0.81 | HPGD (0.73) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL4548025 | 0.80 | TSHR (1.00) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7069417 | 0.80 | HPGD (0.68) | TSHRHPGDLMNAALDH1A1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025086-B1 | BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-6492368-B1 | Benzamidine derivatives as factor XA inhibitors | MERCK PATENT GMBH (DE) | 2002-12-10 | — | — | US | disclosed |