Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | POLQ | O75417 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5545123 | 0.81 | AR (0.43) | ARCES2CRHR1POLQKMT2A | |
| SCHEMBL26020399 | 0.79 | CES2 (0.45) | ARCES2CRHR1POLQKMT2A | |
| SCHEMBL13688467 | 0.79 | CES2 (0.66) | CES2POLQALDH1A1KDM4ENPSR1 | |
| SCHEMBL26440438 | 0.79 | ESRRG (0.45) | ARCES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL10137800 | 0.79 | CES2 (0.43) | ARCES2KMT2AMEN1ATM | |
| SCHEMBL10137799 | 0.79 | KMT2A (0.46) | CES2KMT2AATMHDAC3HDAC1 | |
| SCHEMBL1110884 | 0.78 | CFTR (0.48) | ARCES2KMT2AMEN1ATM | |
| SCHEMBL21725656 | 0.78 | RAB9A (0.47) | CES2POLQALDH1A1KDM4EPOLB | |
| SCHEMBL26440433 | 0.75 | LIMK1 (0.49) | KMT2AMEN1ATMALDH1A1NPSR1 | |
| SCHEMBL4301401 | 0.74 | AR (0.40) | ARCES2CRHR1KMT2AMEN1 |
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-4174069-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Wuhan LL Science and Technology Development Co., Ltd. (CN) | 2023-05-03 | — | — | EP | disclosed |