Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9485459 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL8576168 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL9699198 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL4473332 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL15545209 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL4177303 | 0.98 | TDP1 (0.59) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL12495594 | 0.91 | L3MBTL1 (0.50) | TDP1L3MBTL1PTGS2CYP3A4KDM4E | |
| SCHEMBL27563659 | 0.82 | TDP1 (0.57) | TDP1L3MBTL1PTGS2ESR1ADRA2A | |
| SCHEMBL22267934 | 0.81 | SIGMAR1 (0.56) | TDP1L3MBTL1ALDH1A1LMNACHRM2 | |
| SCHEMBL13527238 | 0.81 | HSD17B10 (0.56) | TDP1L3MBTL1PTGS2ESR1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0541081-A2 | Compounds with only a side chain for use in liquid crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-05-12 | — | — | EP | disclosed |