Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31740316 | 1.00 | TSHR (0.58) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL107751 | 0.81 | TSHR (0.62) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL29403188 | 0.81 | TSHR (0.62) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL799844 | 0.81 | TSHR (0.62) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL2270300 | 0.79 | CYP3A4 (0.50) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL18243045 | 0.79 | TSHR (0.60) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL21995301 | 0.79 | TSHR (0.60) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL3654239 | 0.79 | TSHR (0.60) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL3919506 | 0.78 | CYP3A4 (0.48) | TSHRCYP3A4TDP1MAPK1TP53 | |
| SCHEMBL16579369 | 0.77 | TSHR (0.58) | TSHRCYP3A4TDP1MAPK1TP53 |
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-3073827-A1 | NEW PESTICIDAL COMPOUNDS AND USES | Bayer Animal Health GmbH (DE) | 2016-10-05 | — | — | EP | disclosed |
| EP-2991485-A1 | N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2016-03-09 | — | — | EP | disclosed |
| WO-2015078800-A1 | NEW PESTICIDAL COMPOUNDS AND USES | BAYER CROPSCIENCE AG (DE) | 2015-06-04 | — | — | WO | disclosed |
| WO-2014177582-A1 | N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES | BAYER CROPSCIENCE AG (DE) | 2014-11-06 | — | — | WO | disclosed |