Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10710731 | 0.80 | TSHR (0.65) | TSHRALDH1A1PTGER4GRIN2DGRIN3B | |
| SCHEMBL29094191 | 0.78 | ALDH1A1 (0.33) | TSHRALDH1A1TDP1 | |
| Pentachloronitrobenzene SCHEMBL69247 | 0.77 | TSHR (0.62) | TSHRALDH1A1PTGER4GRIN2DGRIN3B | |
| SCHEMBL11517162 | 0.75 | ALDH1A1 (0.32) | TSHRALDH1A1TDP1 | |
| SCHEMBL9776159 | 0.75 | TSHR (0.59) | TSHRALDH1A1PTGER4GRIN2DGRIN3B | |
| Pentachloronitrobenzene SCHEMBL18438924 | 0.75 | TSHR (0.59) | TSHRALDH1A1PTGER4GRIN2DGRIN3B | |
| SCHEMBL11227367 | 0.75 | TSHR (0.59) | TSHRALDH1A1PTGER4GRIN2DGRIN3B | |
| SCHEMBL3476651 | 0.74 | TSHR (0.65) | TSHRALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8975921 | 0.73 | ALDH1A1 (0.31) | TSHRALDH1A1TDP1 | |
| SCHEMBL11565339 | 0.73 | TSHR (0.52) | TSHRALDH1A1GRIN2DGRIN3BGRIN1 |
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-0003881-A1 | Substituted phenylnitramines, their preparation and their application as fungicidal agents | AMERICAN CYANAMID COMPANY (US) | 1979-09-05 | — | — | EP | disclosed |
| US-4130645-A | Fungicidal phenylnitramines and new phenylnitramines | AMERICAN CYANAMID COMPANY (US) | 1978-12-19 | — | — | US | disclosed |