Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1268914 | 0.98 | NPC1 (0.44) | NPC1CYP2D6CYP2C19CYP1A2HPGD | |
| SCHEMBL29582311 | 0.98 | NPC1 (0.44) | NPC1CYP2D6CYP2C19CYP1A2HPGD | |
| SCHEMBL6803 | 0.88 | CYP2C19 (0.56) | NPC1CYP2D6CYP2C19CYP1A2HPGD | |
| SCHEMBL29379587 | 0.88 | CYP2C19 (0.56) | NPC1CYP2D6CYP2C19CYP1A2HPGD | |
| SCHEMBL423447 | 0.86 | CYP2D6 (0.50) | NPC1CYP2D6CYP2C19CYP1A2RAB9A | |
| SCHEMBL2276388 | 0.86 | TSHR (0.43) | NPC1CYP1A2HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL4190714 | 0.84 | KDM4E (0.50) | NPC1CYP2D6CYP2C19CYP1A2HPGD | |
| SCHEMBL4885285 | 0.84 | SOAT1 (0.49) | NPC1CYP2D6CYP2C19CYP1A2RAB9A | |
| SCHEMBL21494430 | 0.84 | SOAT1 (0.49) | NPC1CYP2D6CYP2C19CYP1A2RAB9A | |
| SCHEMBL675902 | 0.84 | SOAT1 (0.49) | NPC1CYP2D6CYP2C19CYP1A2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0922050-B1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2003-07-30 | — | — | EP | disclosed |
| CN-1224426-A | 3-descladinose-2, 3-anhydroerythromycin derivatives | ABBOTT LAB (US) | 1999-07-28 | — | — | CN | disclosed |
| EP-0922050-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1999-06-16 | — | — | EP | disclosed |
| US-5750510-A | ANTIBIOTICS | ABBOTT LABORATORIES (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997042205-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-11-13 | — | — | WO | disclosed |