Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9719458 | 0.90 | CA2 (0.42) | IDH1CALM1CA2CA1CA4 | |
| SCHEMBL9719478 | 0.87 | CA2 (0.40) | IDH1CALM1CA2CA1CA4 | |
| SCHEMBL9719465 | 0.84 | IDH1 (0.30) | IDH1 | |
| SCHEMBL9719429 | 0.79 | SLC6A2 (0.43) | IDH1MAPT | |
| SCHEMBL9719496 | 0.77 | IDH1 (0.31) | IDH1 | |
| SCHEMBL9719476 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL9719495 | 0.74 | GFER (0.35) | LMNAESR1ESR2KDM4EGAA | |
| SCHEMBL6442463 | 0.73 | CALM1 (0.46) | IDH1CALM1PRSS1PRSS2PRSS3 | |
| SCHEMBL9719426 | 0.72 | SLC6A2 (0.35) | — | |
| SCHEMBL13971231 | 0.71 | CALM1 (0.75) | IDH1CALM1PRSS1PRSS2PRSS3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0227163-B1 | CROSSLINKABLE ELASTOMERIC COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-05-20 | — | — | EP | claimed |
| EP-0227163-B1 | CROSSLINKABLE ELASTOMERIC COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-05-20 | — | — | EP | disclosed |
| US-4766180-A | Crosslinked elastomers containing benzocyclobutene derivatives as crosslinking agents | SHELL OIL COMPANY (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0227163-A2 | Crosslinkable elastomeric compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-07-01 | — | — | EP | disclosed |