Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP14 | P50281 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588668 | 0.83 | TSHR (0.54) | TSHRAKR1C3KCNJ1KCNH2HRH3 | |
| SCHEMBL28506967 | 0.82 | GRIN2D (0.55) | TSHRALDH1A1 | |
| SCHEMBL7610991 | 0.81 | TSHR (0.56) | TSHRAKR1C3KCNJ1KCNH2HRH3 | |
| SCHEMBL916699 | 0.81 | AKR1C3 (0.61) | TSHRAKR1C3LOXL2CA1CYP2C19 | |
| SCHEMBL7914116 | 0.80 | CFTR (0.53) | TSHRAKR1C3KCNJ1KCNH2HRH3 | |
| SCHEMBL3292782 | 0.80 | TSHR (0.75) | TSHRKCNJ1KCNH2HRH3LOXL2 | |
| SCHEMBL8094543 | 0.78 | POLB (0.68) | TSHRKCNJ1KCNH2HRH3LOXL2 | |
| SCHEMBL735219 | 0.77 | AKR1C3 (0.61) | TSHRAKR1C3KCNJ1KCNH2HRH3 | |
| Phosphoric Acid SCHEMBL28639141 | 0.77 | CA1 (0.65) | TSHRAKR1C3CA1CA12MMP2 | |
| SCHEMBL7914124 | 0.77 | SMN1; SMN2 (0.52) | TSHRAKR1C3CYP2C19ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110224096-A1 | FLUORESCENT PHOSPHONIC ESTER LIBRARY | TECHNISCHE UNIVERSITAT GRAZ (AT) | 2011-09-15 | — | — | US | disclosed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |
| US-20080108508-A1 | Fluorescent Phosphonic Ester Library | TECHNISCHE UNIVERSITÄT GRAZ (AT) | 2008-05-08 | — | — | US | disclosed |
| EP-1771735-A1 | FLUORESCENT PHOSPHONIC ESTER LIBRARY | Technische Universität Graz (AT) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006010403-A1 | FLUORESCENT PHOSPHONIC ESTER LIBRARY | TECHNISCHE UNIVERSITÄT GRAZ (AT) | 2006-02-02 | — | — | WO | disclosed |