Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD1 | Q9NZ45 | 5/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA3 | P07451 | 4/20 | 0.53 |
| ▸ | CA4 | P22748 | 4/20 | 0.53 |
| ▸ | CA6 | P23280 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3040620 | 0.84 | CISD1 (0.74) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL8573459 | 0.84 | CA12 (0.68) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL8573433 | 0.82 | ABL1 (0.51) | ATMALDH1A1MAPT | |
| SCHEMBL6674304 | 0.81 | CISD1 (0.50) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL11821417 | 0.81 | L3MBTL1 (0.46) | LMNAMEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL8575426 | 0.80 | SLC9A1 (0.60) | — | |
| SCHEMBL7564592 | 0.79 | CISD1 (0.49) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL7768700 | 0.78 | CISD1 (0.47) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL11328574 | 0.77 | GAA (0.52) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3031603 | 0.77 | CYP3A4 (0.52) | CISD1CA12CA1CA2CA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |
| EP-0704431-A2 | Ortho-substituted benzoic acid derivatives | MERCK PATENT GmbH (DE) | 1996-04-03 | — | — | EP | disclosed |
| US-3953476-A | DIURETICS | MERCK & CO., INC. (US) | 1976-04-27 | — | — | US | disclosed |