Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31241012 | 0.85 | RAB9A (0.53) | RAB9ALMNAADORA3ADORA2AADORA1 | |
| SCHEMBL19150987 | 0.82 | LMNA (0.44) | GAARAB9ALMNAHTTADORA3 | |
| SCHEMBL19151157 | 0.82 | ADORA3 (0.50) | RAB9ALMNAHTTADORA3ADORA2A | |
| SCHEMBL31241118 | 0.82 | RAB9A (0.66) | RAB9ALMNAADORA1SMN1; SMN2KMT2A | |
| SCHEMBL31241073 | 0.81 | RAB9A (0.65) | RAB9ALMNAADORA1SMN1; SMN2KMT2A | |
| SCHEMBL25950912 | 0.81 | MAPT (0.49) | RAB9ALMNAHTTADORA3ADORA2A | |
| SCHEMBL25948055 | 0.81 | ADORA3 (0.45) | RAB9ALMNAHTTADORA3ADORA2A | |
| SCHEMBL7934008 | 0.81 | TSHR (0.39) | RAB9ALMNAHTTKMT2AALDH1A1 | |
| SCHEMBL2275255 | 0.78 | MEN1 (0.43) | RAB9ALMNAHTTADORA3ADORA1 | |
| SCHEMBL4409751 | 0.78 | LMNA (0.68) | GAARAB9ALMNAHTTADORA3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118812505-A | PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof | 贵州医科大学 | 2024-10-22 | — | — | CN | disclosed |
| EP-0794774-B1 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2005-10-12 | — | — | EP | disclosed |
| CN-1090020-C | 4, 4- (disubstituted) cyclohexan-1-ol monomers and related compounds | SMITHKLINE BEECHAM CORP (US) | 2002-09-04 | — | — | CN | disclosed |
| US-6037367-A | Substituted-pent-4-ynoic acids | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-14 | — | — | US | disclosed |
| US-5891883-A | 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds | SMITHKLINE BEECHAM CORPORATION (US) | 1999-04-06 | — | — | US | disclosed |
| EP-0827495-A4 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORP (US) | 1998-11-04 | — | — | EP | disclosed |
| EP-0794774-A4 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0827495-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-11 | — | — | EP | disclosed |
| CN-1175210-A | 4, 4 -(disubstituted) cyclohexan -1 -ols and related compounds | SMITHKLINE BEECHAM CORP (US) | 1998-03-04 | — | — | CN | disclosed |
| EP-0794774-A1 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-09-17 | — | — | EP | disclosed |
| WO-1997003945-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-06 | — | — | WO | disclosed |
| WO-1996019988-A1 | 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-07-04 | — | — | WO | disclosed |