Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA7 | P43166 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.68 |
| ▸ | LTA4H | P09960 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.48 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19438565 | 0.90 | SIGMAR1 (0.61) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL28467893 | 0.90 | CA12 (0.60) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL19438542 | 0.89 | SIGMAR1 (0.59) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL8829830 | 0.87 | SIGMAR1 (0.60) | CA12CA7CA9CA14MEN1 | |
| SCHEMBL3548117 | 0.85 | LTA4H (0.62) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL27624625 | 0.85 | CA12 (0.50) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL11347167 | 0.85 | CA12 (0.55) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL7246282 | 0.84 | CA12 (0.56) | CA12CA7CA9CA14MEN1 | |
| SCHEMBL537549 | 0.84 | LTA4H (0.58) | CA12CA7CA9CA14LTA4H | |
| SCHEMBL7141839 | 0.84 | CA12 (0.50) | CA12CA7CA9CA14LTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993020099-A2 | CCK AND/OR GASTRIN RECEPTOR LIGANDS | FERRING B.V. (NL) | 1993-10-14 | — | — | WO | disclosed |
| US-4663319-A | LIVER DISORDERS | TANABE SEIYSKU CO., LTD. (JP) | 1987-05-05 | — | — | US | disclosed |
| EP-0149534-A2 | Novel thioketene derivatives and process for the preparation thereof | Tanabe Seiyaku Co., Ltd. (JP) | 1985-07-24 | — | — | EP | disclosed |