Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.34 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19615980 | 0.74 | PTGS2 (0.36) | CYP4F2CYP4A11PTGS2NR1H4ENPP2 | |
| SCHEMBL1577607 | 0.69 | CA12 (0.40) | CYP4F2CYP4A11PTGS2NR1H4GHSR | |
| SCHEMBL1577718 | 0.67 | NR1H4 (0.43) | CYP4F2CYP4A11PTGS2NR1H4GHSR | |
| SCHEMBL1577742 | 0.67 | CA12 (0.40) | CYP4F2CYP4A11PTGS2CA12CA1 | |
| SCHEMBL24378111 | 0.66 | HCAR2 (0.30) | — | |
| SCHEMBL1577807 | 0.66 | PTGS2 (0.43) | CYP4F2CYP4A11PTGS2CA12CA1 | |
| SCHEMBL16231881 | 0.66 | CYP4F2 (0.42) | CYP4F2CYP4A11PTGS2NR1H4ENPP2 | |
| SCHEMBL19635290 | 0.65 | ALDH1A1 (0.41) | PTGS2CA12CA9 | |
| SCHEMBL4390921 | 0.65 | ALDH1A1 (0.50) | PTGS2ENPP2CA12CA1CA2 | |
| SCHEMBL7363412 | 0.64 | ALDH1A1 (0.73) | — |
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-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |