Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.54 |
| ▸ | FEN1 | P39748 | 1/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.51 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 2/20 | 0.51 |
| ▸ | TLR4 | O00206 | 1/20 | 0.50 |
| ▸ | TLR2 | O60603 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2350424 | 0.80 | AKR1C3 (0.72) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL30445868 | 0.80 | AKR1C3 (1.00) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL21887184 | 0.80 | AKR1C3 (0.78) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL29522837 | 0.80 | AKR1C3 (1.00) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL8897485 | 0.80 | AKR1C3 (0.78) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL128732 | 0.80 | AKR1C3 (1.00) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL4900017 | 0.78 | AKR1C3 (0.75) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL4320685 | 0.78 | AKR1C3 (0.96) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL11002454 | 0.78 | AKR1C3 (0.75) | AKR1C3HDAC8ERCC5FEN1TNKS | |
| SCHEMBL11593624 | 0.78 | AKR1C3 (0.75) | AKR1C3HDAC8ERCC5FEN1TNKS |
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-2022272106-A1 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2022-12-29 | — | — | WO | disclosed |