Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14773851 | 0.91 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL1947682 | 0.91 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL2595984 | 0.91 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL14773850 | 0.91 | KCNH2 (0.44) | HSD17B10ALDH1A1KMT2AMAPTTDP1 | |
| SCHEMBL2595316 | 0.91 | KCNH2 (0.44) | HSD17B10ALDH1A1KMT2AMAPTTDP1 | |
| SCHEMBL2595314 | 0.91 | KCNH2 (0.44) | HSD17B10ALDH1A1KMT2AMAPTTDP1 | |
| SCHEMBL6542731 | 0.90 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL7225657 | 0.90 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL7225660 | 0.90 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 | |
| SCHEMBL6542726 | 0.90 | KCNH2 (0.43) | HSD17B10ALDH1A1KMT2AMAPTMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865697-B2 | Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use | BASILEA PHARMACEUTICA AG (CH) | 2014-10-21 | — | — | US | disclosed |