Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL564510 | 1.00 | CA1 (0.48) | CA1CA9TSHRALDH1A1LMNA | |
| SCHEMBL564140 | 0.88 | CA1 (0.44) | CA1CA9TSHRALDH1A1LMNA | |
| SCHEMBL6756772 | 0.88 | CA1 (0.44) | CA1CA9TSHRALDH1A1LMNA | |
| SCHEMBL10954745 | 0.86 | CA1 (0.42) | CA1CA9TSHRALDH1A1LMNA | |
| SCHEMBL11772819 | 0.81 | CA1 (0.36) | CA1CA9SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1142002 | 0.75 | CA1 (0.43) | CA1CA9CYP1A2 | |
| SCHEMBL31232833 | 0.75 | SMN1; SMN2 (0.42) | CA1CA9SMN1; SMN2 | |
| SCHEMBL10344336 | 0.73 | CA1 (0.33) | CA1CA9SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4492681 | 0.71 | — | — | |
| SCHEMBL4490462 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1576039-A2 | CATALYTIC DEPOLYMERIZATION OF POLYMERS CONTAINING ELECTROPHILIC LINKAGES USING NUCLEOPHILIC REAGENTS | International Business Machines Corporation (US) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004060987-A2 | CATALYTIC DEPOLYMERIZATION OF POLYMERS CONTAINING ELECTROPHILIC LINKAGES USING NUCLEOPHILIC REAGENTS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2004-07-22 | — | — | WO | disclosed |