Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL14259884 | 0.82 | CA2 (0.54) | TSHRCA2CA1CA12CA4 | |
| SCHEMBL23650066 | 0.80 | TSHR (0.40) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL14228855 | 0.77 | CYP4A11 (0.47) | TSHRCA2CA1LTA4HCA12 | |
| SCHEMBL41775 | 0.76 | TSHR (0.67) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL8283253 | 0.76 | TSHR (0.46) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL8271468 | 0.76 | TP53 (0.46) | TSHRCA2 | |
| SCHEMBL8289155 | 0.74 | HRH3 (0.50) | NOS3NOS1CA2CA1CA12 | |
| Fluoride SCHEMBL28282617 | 0.73 | TSHR (0.62) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL24861699 | 0.72 | LPL (0.46) | CA2 | |
| SCHEMBL13555323 | 0.72 | ENPP2 (0.45) | TSHRNOS3NOS1PRSS1PRSS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013147795-A1 | DIOXABORINANE CO-POLYMERS AND USES THEREOF | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2013-10-03 | — | — | WO | disclosed |
| EP-1819670-B1 | 12-ARYL PROSTAGLANDIN ANALOGS | ALLERGAN INC (US) | 2012-08-08 | — | — | EP | disclosed |
| US-7834067-B2 | Pigment composition, ink composition, printed article, inkjet recording method and polyallylamine derivative | FUJIFILM CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20090233062-A1 | PIGMENT COMPOSITION, INK COMPOSITION, PRINTED ARTICLE, INKJET RECORDING METHOD AND POLYALLYLAMINE DERIVATIVE | FUJIFILM CORPORATION (JP) | 2009-09-17 | — | — | US | disclosed |
| WO-2008040441-A2 | SILICON DERIVATIVES FOR PET IMAGING | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-04-10 | — | — | WO | disclosed |