Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD1 | Q9NZ45 | 9/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674304 | 0.86 | CISD1 (0.50) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL20140830 | 0.85 | ALDH1A1 (0.43) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL11711824 | 0.84 | CISD1 (0.72) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL31704157 | 0.83 | CA12 (0.70) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL4716674 | 0.83 | CA12 (0.70) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL10835667 | 0.81 | MAPT (0.45) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1763610 | 0.81 | CA12 (0.50) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL21623170 | 0.81 | CA12 (0.38) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL15733474 | 0.80 | CA1 (0.56) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL8575310 | 0.79 | CISD1 (0.47) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001002353-A1 | METHOD FOR PRODUCING A 4-(PYRROLE-1-YL)-BENZOYLGUANIDINE DERIVATIVE | MERCK PATENT GMBH (DE) | 2001-01-11 | — | — | WO | disclosed |