Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28456647 | 0.98 | ACHE (0.34) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL5090216 | 0.98 | ACHE (0.34) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL253610 | 0.94 | — | — | |
| SCHEMBL1921674 | 0.85 | — | — | |
| SCHEMBL8156741 | 0.78 | SCD (0.36) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL1921327 | 0.76 | — | — | |
| SCHEMBL10416049 | 0.76 | ACHE (0.32) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL10416028 | 0.76 | ACHE (0.32) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL5345920 | 0.76 | SCD (0.39) | ACHEBACE1PTGS2CYP3A4ESR1 | |
| SCHEMBL27619028 | 0.76 | ACHE (0.32) | ACHEBACE1PTGS2CYP3A4ESR1 |
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-1284981-A2 | METHOD FOR PRODUCING TRANSITION METAL COMPOUNDS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS | Basell Polyolefine GmbH (DE) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001092269-A2 | METHOD FOR PRODUCING TRANSITION METAL COMPOUNDS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2001-12-06 | — | — | WO | disclosed |
| EP-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | disclosed |
| US-5279999-A | Catalyst composition | SHELL OIL COMPANY (US) | 1994-01-18 | — | — | US | disclosed |
| EP-0540108-A1 | Catalyst composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-05-05 | — | — | EP | disclosed |