Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.41 |
| ▸ | ITGAL | P20701 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 3/20 | 0.39 |
| ▸ | FNTB | P49356 | 3/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8255250 | 0.79 | ITGB2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2 | |
| SCHEMBL8255793 | 0.78 | POLB (0.52) | POLB | |
| SCHEMBL5870074 | 0.78 | POLB (0.52) | POLB | |
| SCHEMBL9830757 | 0.72 | CA2 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27988484 | 0.69 | ITGB2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2 | |
| SCHEMBL9830947 | 0.69 | MME (0.57) | ITGB2ICAM1ITGALPOLBFNTA | |
| SCHEMBL5870452 | 0.69 | REN (0.53) | ACE2 | |
| SCHEMBL8249066 | 0.69 | REN (0.53) | ACE2 | |
| SCHEMBL16673386 | 0.68 | ITGB2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2 | |
| SCHEMBL5833201 | 0.68 | ITGB2 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7045532-B2 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-05-16 | — | — | US | disclosed |
| US-6632830-B1 | Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder | MILLENNIUM PHARMACEUTICALS, INC. | 2003-10-14 | — | — | US | disclosed |