Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29012229 | 1.00 | TSHR (0.59) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL9839701 | 0.78 | TSHR (0.53) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL21889567 | 0.76 | TSHR (0.54) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL19919416 | 0.76 | TSHR (0.66) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL14323514 | 0.74 | TSHR (0.53) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL14332363 | 0.74 | TSHR (0.53) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| SCHEMBL14331456 | 0.74 | TSHR (0.53) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| Carveol SCHEMBL56868 | 0.74 | TSHR (1.00) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| Carveol SCHEMBL15011580 | 0.74 | TSHR (1.00) | TSHRTP53ALOX15TRPA1ALDH1A1 | |
| Carveol SCHEMBL20586300 | 0.74 | TSHR (1.00) | TSHRTP53ALOX15TRPA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5011970-A | Nitriles useful in perfume | PFW(NEDERLAND)B.V. (NL) | 1991-04-30 | — | — | US | disclosed |
| US-4456561-A | CYCLOHEXYL-, CYCLOHEXENYL-, AND CYCLOHEXENYL- IDENE NITRILES | POLAK'S FRUTAL WORKS, B.V. (NL) | 1984-06-26 | — | — | US | disclosed |
| US-4336204-A | Menthene nitriles and use as perfume chemicals | POLAK'S FRUTAL WORKS, B.V. (NL) | 1982-06-22 | — | — | US | disclosed |
| US-4235805-A | MENTHANE CARBON SKELETON | POLAK'S FRUTAL WORKS B.V. (NL) | 1980-11-25 | — | — | US | disclosed |