Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 9/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5873389 | 0.83 | CTSK (0.51) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL5873409 | 0.82 | CA1 (0.46) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL12866689 | 0.80 | CA1 (0.46) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL3216755 | 0.80 | CA1 (0.46) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL12468221 | 0.76 | CA1 (0.50) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL12482274 | 0.76 | CA1 (0.50) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL4235638 | 0.75 | JAK3 (0.43) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL12850058 | 0.75 | JAK3 (0.43) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL21974625 | 0.75 | CYP1A2 (0.52) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL28058637 | 0.75 | CYP1A2 (0.52) | CA1CA7CA2CYP2D6CTSK |
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-7045360-B2 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-05-16 | — | — | US | disclosed |
| US-20020090728-A1 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-07-11 | — | — | US | disclosed |