Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27843254 | 0.89 | TSHR (0.50) | HRH3CYP2A6LOXL2TSHRHSD17B10 | |
| SCHEMBL2324617 | 0.81 | CYP2A6 (0.52) | HRH3CYP2A6LOXL2TSHRHSD17B10 | |
| Water SCHEMBL5919047 | 0.76 | TAAR1 (0.56) | KCNH2SLC6A2SLC6A4LTA4H | |
| SCHEMBL28804413 | 0.75 | LTA4H (0.37) | HRH3LTA4H | |
| SCHEMBL1004267 | 0.75 | LOXL2 (0.64) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL27534382 | 0.75 | ESR1 (0.52) | HSD17B10SLC6A2SLC6A4ALDH1A1LTA4H | |
| SCHEMBL13617597 | 0.75 | CYP2A6 (0.54) | HRH3CYP2A6LOXL2TSHRHSD17B10 | |
| SCHEMBL19542923 | 0.75 | IDO1 (0.44) | HRH3ALDH1A1LTA4H | |
| SCHEMBL8105159 | 0.75 | THRA (0.36) | HRH3ALDH1A1LTA4H | |
| SCHEMBL11740957 | 0.74 | TAAR1 (0.58) | KCNH2SLC6A2SLC6A4LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| CN-103333275-B | With the polymkeric substance of functionalized with nitrile compounds comprising protected amino | BRIDGESTONE CO., LTD. (JP) | 2015-07-29 | — | — | CN | disclosed |
| CN-103333275-A | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2013-10-02 | — | — | CN | disclosed |
| CN-102361887-B | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2013-06-26 | — | — | CN | disclosed |
| CN-102361887-A | Polymers functionalized with nitrile compounds containing a protected amino group | BRIDGESTONE CORP | 2012-02-22 | — | — | CN | disclosed |