Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17468966 | 0.87 | TSHR (0.49) | TDP1TSHRSMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL15234471 | 0.81 | TSHR (0.50) | TDP1TSHRSMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL18828587 | 0.80 | MGAM (0.44) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL19105423 | 0.79 | TDP1 (0.44) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL17469115 | 0.78 | NAAA (0.35) | TDP1TSHRALDH1A1NPSR1CYP3A4 | |
| SCHEMBL873242 | 0.77 | TDP1 (0.58) | TDP1TSHRSMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL9272245 | 0.77 | TSHR (0.58) | TDP1TSHRALDH1A1MAPTHPGD | |
| SCHEMBL9272249 | 0.77 | TSHR (0.58) | TDP1TSHRALDH1A1MAPTHPGD | |
| SCHEMBL15442705 | 0.76 | TDP1 (0.41) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| Ethane SCHEMBL17791907 | 0.76 | TDP1 (0.61) | TDP1TSHRSMN1; SMN2ALDH1A1NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |