Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1592438 | 1.00 | XPO1 (0.43) | XPO1CYP1A2CYP2A6POLBTDP1 | |
| SCHEMBL23872049 | 0.85 | CYP1A2 (0.46) | XPO1CYP1A2CYP2A6POLBTDP1 | |
| SCHEMBL1592502 | 0.81 | RXFP1 (0.49) | XPO1CYP1A2POLBTDP1GAA | |
| SCHEMBL10642004 | 0.80 | XPO1 (0.51) | XPO1CYP1A2ALDH1A1HPGDNPC1 | |
| SCHEMBL1592441 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2A6POLBTDP1GAA | |
| SCHEMBL8133929 | 0.77 | KEAP1 (0.46) | XPO1CYP1A2CYP2A6GAAALDH1A1 | |
| SCHEMBL12704580 | 0.75 | POLB (0.44) | XPO1POLBTDP1GAAALDH1A1 | |
| SCHEMBL8851379 | 0.69 | CYP2A6 (0.59) | CYP1A2CYP2A6POLBTDP1ALDH1A1 | |
| SCHEMBL8134443 | 0.68 | XPO1 (0.55) | XPO1GAAALDH1A1LMNAKMT2A | |
| SCHEMBL8141682 | 0.67 | CYP1A2 (0.67) | XPO1CYP1A2TDP1GAAALDH1A1 |
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-4125872-A1 | SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY | Stemline Therapeutics Inc. (US) | 2023-02-08 | — | — | EP | disclosed |