Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20183791 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL21474026 | 0.88 | MAPT (0.41) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL20183824 | 0.85 | RXRA (0.37) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL20183596 | 0.84 | HDAC8 (0.41) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL20354318 | 0.83 | KDM4E (0.42) | KDM4EMAPTTP53RORCPOLB | |
| SCHEMBL20183650 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL20183788 | 0.81 | LMNA (0.38) | KDM4EMAPTTP53RORCSMN1; SMN2 | |
| SCHEMBL20183659 | 0.81 | RXRA (0.37) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL21549481 | 0.81 | RORC (0.39) | KDM4EMAPTTP53RORCPOLB | |
| SCHEMBL20354281 | 0.80 | KDM4E (0.38) | ALDH1A1TSHRKDM4EMAPTTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3327004-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORP (JP) | 2020-11-04 | — | — | EP | disclosed |
| EP-3327004-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Fujifilm Corporation (JP) | 2018-05-30 | — | — | EP | disclosed |