Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30772171 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL24800366 | 0.81 | ALDH1A1 (0.35) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29870732 | 0.80 | GABRP (0.34) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL21686844 | 0.80 | GABRP (0.34) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL25130371 | 0.73 | LMNA (0.55) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29656652 | 0.73 | IP6K1 (0.45) | ALDH1A1MEN1KMT2A | |
| SCHEMBL28798602 | 0.73 | L3MBTL1 (0.41) | MAPT | |
| SCHEMBL14843585 | 0.71 | LMNA (0.56) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL4417128 | 0.71 | KDM4E (0.49) | ALDH1A1EGFRMAPT | |
| SCHEMBL23247324 | 0.70 | ALDH1A1 (0.35) | ALDH1A1DHFR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117580836-A | Pyrimidine ring structure derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-02-20 | — | — | CN | disclosed |
| WO-2023153748-A1 | SOS1 INHIBITOR AND DERIVATIVE THEREOF | (주)파로스아이바이오 | 2023-08-17 | — | — | WO | disclosed |
| WO-2022271562-A1 | HETEROCYCLES AND USES THEREOF | KUMQUAT BIOSCIENCES INC. (US) | 2022-12-29 | — | — | WO | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |