Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SMPD1 | P17405 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7714646 | 0.89 | TSHR (0.43) | TSHRCYP3A4ACHEFDPSPOLB | |
| SCHEMBL5105445 | 0.80 | TSHR (0.46) | TSHRCYP3A4L3MBTL1ACHEPOLB | |
| SCHEMBL9223204 | 0.75 | TSHR (0.34) | TSHRACHEPOLB | |
| SCHEMBL13334729 | 0.74 | FDPS (0.52) | TSHRCYP3A4L3MBTL1FDPSPOLB | |
| SCHEMBL3454666 | 0.73 | TSHR (0.39) | TSHRACHEPOLBTP53TDP1 | |
| SCHEMBL3122516 | 0.71 | LAP3 (0.48) | TSHRCYP3A4L3MBTL1FDPSTP53 | |
| SCHEMBL18622176 | 0.71 | FDPS (0.42) | TSHRCYP3A4L3MBTL1FDPSSMPD1 | |
| SCHEMBL124930 | 0.70 | TSHR (0.42) | TSHRCYP3A4L3MBTL1ACHEPOLB | |
| SCHEMBL22455362 | 0.70 | TSHR (0.42) | TSHRCYP3A4L3MBTL1ACHEPOLB | |
| SCHEMBL1241061 | 0.69 | POLB (0.49) | L3MBTL1POLB |
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 6 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 |
| US-3937711-A | POLYMERIC STABILIZERS, POLYOLEFINS | CIBA-GEIGY CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |