Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21777089 | 1.00 | AKR1C1 (0.47) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23593943 | 0.77 | AKR1C1 (0.70) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2836206 | 0.77 | AKR1C1 (0.70) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6689798 | 0.77 | AKR1C1 (0.70) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16102102 | 0.77 | KMT2A (0.48) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3652897 | 0.76 | NPC1 (0.48) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29979027 | 0.76 | P2RX7 (0.41) | KMT2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5014075 | 0.74 | KMT2A (0.38) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16180693 | 0.73 | CYP1A2 (0.55) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20995693 | 0.71 | AKR1C1 (0.43) | AKR1C1KMT2ACYP1A2CYP3A4CYP2D6 |
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-2024083111-A1 | NOVEL HETEROCYCLIC COMPOUNDS | 首药控股(北京)股份有限公司 | 2024-04-25 | — | — | WO | disclosed |