Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 4/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12804046 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28125752 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL8358409 | 0.78 | ALDH1A1 (0.51) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL789045 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL1747096 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28731604 | 0.74 | ALOX15 (0.42) | ALDH1A1HPGDLMNAKMT2AKDM4E | |
| SCHEMBL2992833 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL2122119 | 0.73 | IMPDH2 (0.54) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL3253868 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL806499 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNAMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114761410-B | Pyrrolopyrimidinone compounds and application thereof | 广州必贝特医药股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| WO-2022213932-A1 | PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药股份有限公司 | 2022-10-13 | — | — | WO | disclosed |
| WO-2022179469-A1 | THIENOPYRIMIDINEDIONE COMPOUNDS AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2022-09-01 | — | — | WO | disclosed |
| CN-114761410-A | Pyrrolopyrimidinone compounds and application thereof | 广州必贝特医药股份有限公司 | 2022-07-15 | — | — | CN | disclosed |