Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL12817270 | 1.00 | PTGS2 (0.36) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15410613 | 0.96 | PTGS2 (0.36) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15410622 | 0.95 | NPC1 (0.34) | TP53RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL15409956 | 0.95 | NPC1 (0.34) | TP53RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL15409426 | 0.91 | PTGS2 (0.30) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL12816834 | 0.88 | HSD11B1 (0.39) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15410778 | 0.88 | HSD11B1 (0.39) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15409775 | 0.86 | SKP2 (0.34) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15408883 | 0.86 | SKP2 (0.34) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL12827417 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8937195-B2 | Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-01-20 | — | — | US | disclosed |
| US-20140018564-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-16 | — | — | US | disclosed |