Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258334 | 0.90 | CA2 (0.50) | CA1CA2CA9CA12CA5A | |
| SCHEMBL13527822 | 0.82 | CA2 (0.50) | CA1CA2CA9TSHRKDM4E | |
| SCHEMBL6991225 | 0.82 | CA1 (0.48) | CA1CA2CA9CA12CYP1A2 | |
| SCHEMBL17891745 | 0.82 | CA2 (0.44) | CA1CA2CA9F2TSHR | |
| SCHEMBL1284072 | 0.81 | CA1 (0.43) | CA1CA2CA9CA12CA4 | |
| SCHEMBL980388 | 0.81 | CA1 (0.44) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1246773 | 0.81 | CA2 (0.48) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1422315 | 0.81 | CA1 (0.43) | CA1CA2CA9CA12CA4 | |
| SCHEMBL3863603 | 0.81 | CA1 (0.43) | CA1CA2CA9TSHRKDM4E | |
| SCHEMBL24054628 | 0.80 | APLNR (0.41) | CA1CA2CA9CA12CA5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010135170-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | WO | disclosed |