Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687971 | 0.89 | GRIN2D (0.42) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL3071705 | 0.82 | ALDH1A1 (0.37) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL22409653 | 0.76 | ALDH1A1 (0.42) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL7401097 | 0.74 | THRB (0.42) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL6832697 | 0.73 | CYP19A1 (0.33) | ALDH1A1TSHRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6832695 | 0.73 | EPHX2 (0.52) | ALDH1A1EPHX1HTTEPHX2 | |
| SCHEMBL3071615 | 0.73 | GRIN2D (0.44) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL28751556 | 0.72 | GRIN2D (0.50) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL11076670 | 0.70 | GRIN2D (0.52) | THRBCYP2C9ALDH1A1TSHRGRIN2D | |
| SCHEMBL6830524 | 0.68 | ALOX5 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2003060191-A2 | NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |