Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 7/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21667337 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2B6PGRMEN1KMT2A | |
| SCHEMBL21667332 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2B6PGRMEN1KMT2A | |
| SCHEMBL21667176 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2B6PGRP2RX7MEN1 | |
| SCHEMBL21667264 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2B6PGRMEN1KMT2A | |
| SCHEMBL21667335 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2B6P2RX7MEN1KMT2A | |
| SCHEMBL21667279 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2B6KMT2AHSD17B10POLB | |
| SCHEMBL21667323 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2B6P2RX7MEN1KMT2A | |
| SCHEMBL16324610 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP2B6PGRNTRK1SMN1; SMN2 | |
| SCHEMBL21667350 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2B6MEN1KMT2ATP53 | |
| SCHEMBL30509624 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP2B6PGRNTRK1SMN1; SMN2 |
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-3702352-A1 | PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS | Myokardia, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| EP-3010910-B1 | PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS | MYOKARDIA INC (US) | 2020-02-05 | — | — | EP | disclosed |