Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9839707 | 0.78 | TSHR (0.59) | TSHRTP53ALOX15LMNAALDH1A1 | |
| SCHEMBL29012229 | 0.78 | TSHR (0.59) | TSHRTP53ALOX15LMNAALDH1A1 | |
| SCHEMBL14323648 | 0.71 | TSHR (0.54) | TSHRTP53ALOX15LMNAALDH1A1 | |
| SCHEMBL14331463 | 0.71 | TSHR (0.54) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL564464 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL15011580 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL14763904 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL56868 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL20586300 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 | |
| Carveol SCHEMBL20201316 | 0.70 | TSHR (1.00) | TSHRTP53ALOX15LMNAALDH1A1 |
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 |