Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.51 |
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | HRH1 | P35367 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | HRH2 | P25021 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9750655 | 0.89 | HTR2A (0.58) | SIGMAR1HTR2AHRH1TSHRKDM4E | |
| SCHEMBL8297797 | 0.85 | HTR2A (0.62) | SIGMAR1HTR2AHRH1TSHRKDM4E | |
| SCHEMBL11117672 | 0.84 | PYCR1 (0.50) | SIGMAR1TMEM97HTR2AHRH1TSHR | |
| SCHEMBL11130111 | 0.82 | TSHR (0.57) | SIGMAR1HTR2AHRH1TSHRKCNH2 | |
| SCHEMBL11115618 | 0.82 | HRH1 (0.50) | SIGMAR1HTR2AHRH1TSHRKDM4E | |
| SCHEMBL11110461 | 0.78 | TSHR (0.59) | SIGMAR1HTR2AHRH1TSHRL3MBTL1 | |
| SCHEMBL10778672 | 0.77 | HTR2A (0.78) | SIGMAR1HTR2AHRH1TSHRCHRM2 | |
| SCHEMBL11115510 | 0.76 | ALDH1A1 (0.58) | KDM4ECYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL11111247 | 0.76 | CDK4 (0.46) | SIGMAR1TMEM97HTR2AHRH1 | |
| SCHEMBL11116302 | 0.75 | CHRNB2 (0.56) | SIGMAR1HTR2AHRH1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041757-B1 | ETHYLENDIAMINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND INTERMEDIATES FOR THEIR PREPARATION | Simes S.p.A. (IT) | 1984-11-07 | — | — | EP | disclosed |
| EP-0041757-A1 | Ethylendiamine derivatives, preparation thereof, pharmaceutical compositions containing same and intermediates for their preparation | Simes S.p.A. (IT) | 1981-12-16 | — | — | EP | disclosed |