Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11440367 | 0.78 | TSHR (0.32) | TSHRMAPK1 | |
| SCHEMBL14895128 | 0.72 | USP2 (0.36) | TSHRUSP2CYP3A4ALOX15 | |
| SCHEMBL14895074 | 0.72 | USP2 (0.36) | TSHRUSP2CYP3A4ALOX15 | |
| SCHEMBL31461645 | 0.69 | CYP3A4 (0.44) | TSHRMAPK1USP2CYP3A4ALOX15 | |
| SCHEMBL2942187 | 0.67 | ALDH1A1 (0.32) | TSHRPTPN1 | |
| SCHEMBL9148678 | 0.67 | TSHR (0.39) | TSHRMAPK1USP2CYP3A4CYP19A1 | |
| SCHEMBL18309368 | 0.65 | CHRNB2 (0.41) | TSHR | |
| SCHEMBL11133783 | 0.65 | CHRNB2 (0.41) | TSHR | |
| SCHEMBL14591058 | 0.63 | — | — | |
| Alpha-Pinene SCHEMBL1461223 | 0.63 | MAPK1 (0.81) | TSHRMAPK1 |
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 5 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 |
| US-4219449-A | Carane nitriles | POLAK'S FRUTAL WORKS B.V. (NL) | 1980-08-26 | — | — | US | disclosed |