Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15672932 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KEAP1TSHRTHRBNFE2L2 | |
| SCHEMBL11709570 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KEAP1TSHRTHRBNFE2L2 | |
| SCHEMBL14830619 | 0.78 | PSIP1 (0.59) | ALDH1A1NR3C1TSHRNPC1RAB9A | |
| SCHEMBL15614459 | 0.78 | L3MBTL1 (0.70) | NR3C1NPC1L3MBTL1MAPTPOLB | |
| SCHEMBL16000098 | 0.78 | TSHR (0.49) | NR3C1TSHRL3MBTL1POLB | |
| SCHEMBL10878737 | 0.78 | NR3C1 (0.46) | ALDH1A1NR3C1L3MBTL1HPGDMAPT | |
| SCHEMBL15672846 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KEAP1TSHRTHRBNFE2L2 | |
| SCHEMBL15672883 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KEAP1TSHRTHRBNFE2L2 | |
| SCHEMBL11234378 | 0.78 | TSHR (0.50) | ALDH1A1NR3C1KEAP1TSHRNFE2L2 | |
| SCHEMBL13469116 | 0.77 | ALDH1A1 (0.50) | ALDH1A1NR3C1TSHRTHRBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3169662-B1 | SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2018-07-11 | — | — | EP | disclosed |
| EP-2510786-A1 | Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives | Bayer CropScience AG (DE) | 2012-10-17 | — | — | EP | disclosed |