Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ME2 | P23368 | 1/20 | 0.43 |
| ▸ | ME1 | P48163 | 1/20 | 0.43 |
| ▸ | ME3 | Q16798 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28650484 | 0.84 | CA12 (0.65) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL5535690 | 0.82 | CA12 (0.55) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL3712914 | 0.80 | ALDH1A1 (0.60) | TP53CYP3A4 | |
| SCHEMBL17513744 | 0.78 | DRD2 (0.48) | CA2CA9CA12AKR1C3ME2 | |
| SCHEMBL28842325 | 0.77 | CA12 (0.56) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL13285321 | 0.77 | CA12 (0.56) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL25075457 | 0.76 | CA12 (0.45) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL21542324 | 0.76 | NOTUM (0.50) | CA2CA9CA12AKR1C3DHFR | |
| SCHEMBL6235020 | 0.76 | NOTUM (0.48) | KDM4ETP53NOTUMCYP3A4 | |
| SCHEMBL5536334 | 0.76 | ME2 (0.66) | CA2CA9CA12AKR1C3DHFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005005382-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2005-01-20 | — | — | WO | claimed |
| WO-2005005382-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2005-01-20 | — | — | WO | disclosed |