Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA6 | P23280 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4745079 | 0.98 | CYP2C9 (0.45) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL26350815 | 0.90 | TRPV4 (0.32) | CYP2C19CYP2C9 | |
| SCHEMBL4917625 | 0.87 | CYP2C9 (0.36) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL4919238 | 0.87 | CYP2C9 (0.36) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL9739467 | 0.86 | TDP1 (0.32) | CYP2C19CYP2C9TDP1 | |
| SCHEMBL4746157 | 0.86 | TRPV4 (0.30) | — | |
| SCHEMBL19542944 | 0.83 | TRPV4 (0.34) | MEN1KMT2A | |
| SCHEMBL20438426 | 0.81 | TRPV4 (0.32) | — | |
| SCHEMBL26267242 | 0.81 | MEN1 (0.37) | MEN1KMT2A | |
| SCHEMBL20445574 | 0.80 | CYP2C19 (0.32) | CYP2C19MEN1KMT2ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008112636-A1 | CHAIN EXTENDERS | ALBEMARLE CORPORATION (US) | 2008-09-18 | — | — | WO | disclosed |