Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.95 |
| ▸ | CA2 | P00918 | 9/20 | 0.95 |
| ▸ | CA12 | O43570 | 6/20 | 0.95 |
| ▸ | CA7 | P43166 | 6/20 | 0.95 |
| ▸ | CA9 | Q16790 | 6/20 | 0.95 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | XDH | P47989 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Methylparaben SCHEMBL4440 | 0.98 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL321534 | 0.98 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL48757 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL21274302 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL1699480 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL8779118 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL475867 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL16029235 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL2810862 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL6315862 | 0.95 | CA1 (0.95) | CA1CA2CA12CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106659712-A | Compounds for the treatment of brain cancer | 欧洲凯尔特公司 | 2017-05-10 | — | — | CN | disclosed |