Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8151884 | 0.84 | TSHR (0.43) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL8151284 | 0.81 | TSHR (0.41) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL8161784 | 0.78 | TSHR (0.51) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL724475 | 0.77 | TSHR (0.45) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL6675359 | 0.76 | TSHR (0.44) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL22310130 | 0.72 | TSHR (0.54) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL598903 | 0.69 | TSHR (0.58) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL3974006 | 0.68 | TSHR (0.54) | ALDH1A1TSHRNPSR1ATMNPC1 | |
| SCHEMBL6250445 | 0.67 | TDP1 (0.31) | ALDH1A1KDM4E | |
| SCHEMBL5357579 | 0.66 | ALDH1A1 (0.59) | ALDH1A1TSHRNPSR1ATMNPC1 |
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-0984973-B1 | STEREORIGID METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2003-07-23 | — | — | EP | disclosed |
| US-6410661-B1 | POLYMERIZATION CATALYST | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | disclosed |
| EP-0984973-A1 | STEREORIGID METALLOCENE COMPOUNDS | Basell Polyolefine GmbH (DE) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998050395-A1 | STEREORIGID METALLOCENE COMPOUNDS | TARGOR GMBH (DE) | 1998-11-12 | — | — | WO | disclosed |