Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 11/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5447582 | 0.85 | CA1 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5873389 | 0.84 | CTSK (0.51) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5433610 | 0.83 | CA1 (0.46) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL14737623 | 0.83 | CA1 (0.46) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5873355 | 0.82 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL768534 | 0.79 | CA1 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL6632972 | 0.79 | CA1 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL2386106 | 0.79 | CA1 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL15663570 | 0.78 | KMT2A (0.43) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL15081235 | 0.78 | CA1 (0.44) | CA1CA2CA7CYP2D6CTSK |
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 3 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 |
| WO-2001057526-A1 | METHOD FOR ANALYSIS OF REACTION PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-08-09 | — | — | WO | disclosed |