Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8940040 | 0.83 | CA12 (0.73) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL29744481 | 0.81 | CA12 (1.00) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL11148327 | 0.81 | CA12 (0.70) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL522649 | 0.81 | CA12 (1.00) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| Phosphine SCHEMBL31113454 | 0.79 | CA12 (0.96) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL14174618 | 0.79 | CA12 (0.68) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL3281797 | 0.79 | CA12 (0.68) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL252198 | 0.79 | CA12 (0.68) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| SCHEMBL29448333 | 0.79 | ALDH1A1 (0.69) | CA12CA9ALDH1A1KDM4ENPSR1 | |
| Hydrochloric Acid SCHEMBL7085111 | 0.79 | CA12 (0.96) | CA12CA9ALDH1A1KDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0989982-B1 | BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY | ROCHE DIAGNOSTICS GMBH (DE) | 2005-08-17 | — | — | EP | claimed |