Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 SCHEMBL6229256 | 0.99 | CYP2C9 (0.32) | CYP2C9CYP2C19PPARGPPARDPPARA | |
| Hydrochloric Acid SCHEMBL6229786 | 0.94 | CYP2C9 (0.30) | CYP2C9CYP2C19PPARGPPARDPPARA | |
| Hydrochloric Acid SCHEMBL6231116 | 0.85 | HTR1A (0.34) | HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6231521 | 0.85 | KDM4E (0.36) | KDM1AMAPT | |
| Hydrochloric Acid SCHEMBL6234200 | 0.82 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6230788 | 0.81 | HTR1A (0.33) | HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6227839 | 0.81 | KDM4E (0.34) | MAPT | |
| Hydrochloric Acid SCHEMBL6230395 | 0.79 | HTR7 (0.33) | HTR1AHTR7KDM1ASLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6233195 | 0.79 | NPC1 (0.34) | HTR1AHTR7KDM1ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL6232515 | 0.77 | BRD4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1313747-A1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | Basell Polypropylen GmbH (DE) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018397-A1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | BASELL POLYPROPYLEN GMBH (DE) | 2002-03-07 | — | — | WO | disclosed |