Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CCR8 | P51685 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7564368 | 0.80 | ADRA1A (0.36) | NPC1SMN1; SMN2RAB9AL3MBTL1PKM | |
| Hydrochloric Acid SCHEMBL3822639 | 0.79 | ADRA2A (0.34) | NPC1SMN1; SMN2RAB9AADRA1ATDO2 | |
| SCHEMBL5836701 | 0.79 | RAB9A (0.37) | NPC1SMN1; SMN2RAB9APKMGAA | |
| SCHEMBL61908 | 0.79 | PDCD1 (0.34) | NPC1SMN1; SMN2RAB9APDK2PDK4 | |
| SCHEMBL29366427 | 0.79 | PDCD1 (0.34) | NPC1SMN1; SMN2RAB9APDK2PDK4 | |
| SCHEMBL7564374 | 0.78 | ADRA1A (0.35) | NPC1SMN1; SMN2RAB9AL3MBTL1PKM | |
| SCHEMBL8678306 | 0.77 | ADRA1A (0.34) | NPC1SMN1; SMN2RAB9AL3MBTL1PKM | |
| Hydrochloric Acid SCHEMBL7562442 | 0.77 | ADRA1A (0.42) | NPC1SMN1; SMN2RAB9AL3MBTL1PKM | |
| Hydrochloric Acid SCHEMBL5167145 | 0.76 | ENPP3 (0.36) | NPC1SMN1; SMN2RAB9AL3MBTL1GAA | |
| SCHEMBL26606290 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0743317-B1 | Metallocenes comprising a heterocycle and catalysts containing them | BASELL POLYOLEFINE GMBH (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0832066-A1 | SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| EP-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |