Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27624794 | 0.85 | CYP2D6 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2096165 | 0.84 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6706944 | 0.80 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11439916 | 0.80 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3926555 | 0.80 | CA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18639601 | 0.80 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8785084 | 0.79 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL682768 | 0.78 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6025873 | 0.77 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2465466 | 0.77 | ALDH1A1 (0.51) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1668601-A | N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2005-09-14 | — | — | CN | disclosed |