Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL69653 | 0.85 | MAPT (0.64) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL801053 | 0.84 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL13893212 | 0.84 | CYP1A2 (0.53) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2305425 | 0.83 | MAPT (0.55) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL9426972 | 0.80 | CYP1A2 (0.59) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL465719 | 0.79 | MRGPRX4 (0.54) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL9648449 | 0.79 | CTSA (0.43) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL29490154 | 0.79 | MRGPRX4 (0.54) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| Hydrochloric Acid SCHEMBL22462549 | 0.79 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1545520 | 0.78 | KDM4E (0.68) | ALDH1A1KDM4ETSHRMRGPRX4KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040265991-A1 | Process for preparation of (s)-alpha-halomethylpyridine-methanol derivatives | KANEKA CORPORATION (JP) | 2004-12-30 | — | — | US | disclosed |
| EP-1454899-A1 | PROCESS FOR PREPARATION OF (S)-ALPHA-HALOME THYLPYRIDINE METHANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2004-09-08 | — | — | EP | disclosed |