Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 16/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 6/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.42 |
| ▸ | F10 | P00742 | 5/20 | 0.42 |
| ▸ | F7 | P08709 | 2/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PLAT | P00750 | 1/20 | 0.42 |
| ▸ | TMPRSS6 | Q8IU80 | 3/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
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 SCHEMBL8349889 | 0.84 | NR1H2 (0.42) | NR1H2NR1H3F2PRSS1PRSS2 | |
| Trifluoroacetic Acid SCHEMBL7454428 | 0.71 | F2 (0.74) | F2PRSS1PRSS2PRSS3F10 | |
| Trifluoroacetic Acid SCHEMBL7459282 | 0.70 | F2 (0.62) | F2PRSS1PRSS2PRSS3F10 | |
| Trifluoroacetic Acid SCHEMBL8351393 | 0.67 | F2 (0.47) | F2PRSS1PRSS2PRSS3F10 | |
| Trifluoroacetic Acid SCHEMBL7463140 | 0.66 | F2 (0.72) | F2PRSS1PRSS2PRSS3F10 | |
| Trifluoroacetic Acid SCHEMBL7463044 | 0.66 | F2 (0.72) | F2PRSS1PRSS2PRSS3F10 | |
| Trifluoroacetic Acid SCHEMBL8348025 | 0.66 | F2 (0.46) | F2PRSS1F10PLGTMPRSS6 | |
| Methyl Benzoate SCHEMBL7560351 | 0.66 | F2 (0.55) | F2PRSS1F10TMPRSS6 | |
| Benzamidine SCHEMBL5241617 | 0.66 | F2 (0.67) | F2PRSS1PRSS2PRSS3F10 | |
| Benzamidine SCHEMBL5238261 | 0.66 | F2 (0.67) | F2PRSS1PRSS2PRSS3F10 |
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-5942544-A | α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-24 | — | — | US | disclosed |