Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL249720 | 0.80 | P4HTM (0.59) | P4HA1MIFP4HTMHIF1AKDM4E | |
| SCHEMBL31359466 | 0.80 | P4HTM (0.59) | P4HA1MIFP4HTMHIF1AKDM4E | |
| SCHEMBL1831265 | 0.80 | KMT2A (0.55) | SIRT6CA12CA1CA2CA4 | |
| SCHEMBL27212642 | 0.79 | P2RX7 (0.52) | HIF1AKDM4EALDH1A1MAOBPTGS1 | |
| SCHEMBL26697541 | 0.79 | HDAC1 (0.47) | HIF1AKDM4EALDH1A1MAOBPTGS1 | |
| SCHEMBL30753596 | 0.78 | ALDH1A1 (0.47) | CA12CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL21485420 | 0.78 | P4HTM (0.57) | ADRA2AADRA2BADRA2CP4HA1MIF | |
| SCHEMBL28015545 | 0.78 | ALDH1A1 (0.47) | CA12CA1CA2CA4CA6 | |
| SCHEMBL19470150 | 0.78 | CA12 (0.41) | CA12CA1CA2CA4CA6 | |
| SCHEMBL995902 | 0.78 | ALDH1A1 (0.47) | CA12CA1CA2CA4CA6 |
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-3683207-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |