Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.75 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.75 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.75 |
| ▸ | CA12 | O43570 | 3/20 | 0.72 |
| ▸ | CA1 | P00915 | 3/20 | 0.72 |
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | CA9 | Q16790 | 3/20 | 0.72 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.70 |
| ▸ | NOS1 | P29475 | 2/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.60 |
| ▸ | F2 | P00734 | 3/20 | 0.60 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.60 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.60 |
| ▸ | ACR | P10323 | 1/20 | 0.55 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 6/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 6/20 | 0.54 |
| ▸ | SLC22A3 | O75751 | 6/20 | 0.54 |
| ▸ | PLAU | P00749 | 5/20 | 0.54 |
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 SCHEMBL11226185 | 0.98 | NOS1 (0.73) | ADRA2AADRA2BADRA2CCA12CA1 | |
| 4-Guanidino-Benzoic Acid SCHEMBL1363882 | 0.84 | CA12 (1.00) | ADRA2AADRA2BADRA2CCA12CA1 | |
| SCHEMBL6931411 | 0.82 | NOS1 (0.80) | ADRA2AADRA2BADRA2CCA12CA1 | |
| 4-Guanidino-Benzoic Acid SCHEMBL20488250 | 0.80 | CA12 (0.92) | ADRA2AADRA2BADRA2CCA12CA1 | |
| SCHEMBL9921337 | 0.80 | NOS1 (0.61) | ADRA2AADRA2BADRA2CCA12CA1 | |
| SCHEMBL8211124 | 0.80 | NOS1 (0.61) | ADRA2AADRA2BADRA2CCA12CA1 | |
| SCHEMBL9921385 | 0.80 | NOS1 (0.61) | ADRA2AADRA2BADRA2CCA12CA1 | |
| Terephthalamide SCHEMBL23774 | 0.79 | PARP1 (0.71) | CA12CA1CA2CA9NOS1 | |
| SCHEMBL6299007 | 0.78 | NOS1 (0.59) | ADRA2AADRA2BADRA2CCA12CA1 | |
| SCHEMBL14430875 | 0.76 | NOS1 (0.57) | ADRA2AADRA2BADRA2CCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6890939-B2 | Aminopyrrolidine sulfonamides as serine protease inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| US-6710061-B2 | SELECTIVE SERINE PROTEASE OR DUAL-SERINE PROTEASE INHIBITORS OF FACTOR XA AND TRYPTASE | ORTHO-MCNEIL PHARAMCEUTICAL, INC. | 2004-03-23 | — | — | US | disclosed |
| US-6630505-B2 | Inhibitors of Factor Xa and tryptase useful for treating serine protease or dual-serine protease mediated disorders such as thrombotic disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-10-07 | — | — | US | disclosed |