Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 3/20 | 0.30 |
| ▸ | CCR5 | P51681 | 3/20 | 0.30 |
| ▸ | CCR8 | P51685 | 3/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALPL | P05186 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | ALPI | P09923 | 1/20 | 0.30 |
| ▸ | ALPG | P10696 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL7564079 | 0.88 | ADRA1A (0.31) | ADRA1A | |
| SCHEMBL7565970 | 0.85 | ADRA1A (0.33) | ADRA1ACCR1CCR5CCR8KDM4E | |
| SCHEMBL7571442 | 0.81 | MAOA (0.31) | — | |
| SCHEMBL7569884 | 0.77 | ADRA1A (0.31) | ADRA1A | |
| Hydrochloric Acid SCHEMBL7569797 | 0.76 | ADRA1A (0.33) | ADRA1ACCR1CCR5CCR8KDM4E | |
| Hydrochloric Acid SCHEMBL7565976 | 0.75 | ADRA1A (0.34) | ADRA1ACCR1CCR5CCR8KDM4E | |
| Hydrochloric Acid SCHEMBL7564081 | 0.74 | ADRA1A (0.32) | ADRA1ACCR1CCR5CCR8KDM4E | |
| SCHEMBL7571161 | 0.70 | MAOA (0.31) | — | |
| SCHEMBL216461 | 0.70 | HTR6 (0.31) | — | |
| SCHEMBL8603994 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | claimed |
| 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-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |