Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL447463 | 0.81 | CA12 (0.47) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| SCHEMBL14532077 | 0.79 | CYP3A4 (0.45) | ALDH1A1TDP1THRBL3MBTL1TP53 | |
| SCHEMBL445994 | 0.79 | TDP1 (0.45) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| SCHEMBL31265919 | 0.79 | ALDH1A1 (0.75) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| SCHEMBL347685 | 0.78 | TDP1 (0.50) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| SCHEMBL3088720 | 0.78 | TDP1 (0.48) | CA12MMP2ALDH1A1TDP1THRB | |
| SCHEMBL26419568 | 0.77 | CA12 (0.51) | CA12MMP2ALDH1A1L3MBTL1TSHR | |
| Hydrochloric Acid SCHEMBL29730240 | 0.77 | TDP1 (0.48) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| SCHEMBL27928253 | 0.77 | TDP1 (0.48) | CA12ALDH1A1TDP1THRBL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL27928251 | 0.77 | TDP1 (0.48) | CA12ALDH1A1TDP1THRBL3MBTL1 |
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-1249233-B9 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2009-08-05 | — | — | EP | disclosed |
| EP-1249233-B1 | NPYY5 ANTAGONISTS | SHIONOGI & CO (JP) | 2008-08-20 | — | — | EP | disclosed |
| US-5672605-A | ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION | ABBOTT LABORATORIES (US) | 1997-09-30 | — | — | US | disclosed |
| US-5583139-A | Marcolide immunomodulators | ABBOTT LABORATORIES (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1995014023-A1 | SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-05-26 | — | — | WO | disclosed |