Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11115170 | 0.99 | TSHR (0.56) | TSHRSIGMAR1ACHECHRM2CHRM4 | |
| SCHEMBL11114118 | 0.95 | TSHR (0.52) | TSHRSIGMAR1ACHECHRM2CHRM4 | |
| SCHEMBL11111482 | 0.94 | LMNA (0.52) | TSHRSIGMAR1ACHECHRM2CHRM4 | |
| SCHEMBL11109990 | 0.94 | TSHR (0.51) | TSHRSIGMAR1ACHECHRM2CHRM4 | |
| SCHEMBL11112967 | 0.87 | SMN1; SMN2 (0.60) | TSHRSIGMAR1CHRM2CHRM4CHRM5 | |
| SCHEMBL6320470 | 0.85 | CALM1 (0.47) | TSHRSIGMAR1ACHESMN1; SMN2MAPK1 | |
| SCHEMBL11116056 | 0.84 | SMN1; SMN2 (0.53) | SIGMAR1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11114288 | 0.83 | BCL2 (0.60) | TSHRSIGMAR1ACHECHRM2CHRM4 | |
| SCHEMBL11125959 | 0.79 | SMN1; SMN2 (0.57) | TSHRSIGMAR1CHRM2CHRM4CHRM5 | |
| SCHEMBL28596222 | 0.76 | SMN1; SMN2 (0.55) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4988735-A | Ethylene diamine active cardiovascular therapy | SIMES (IT) | 1991-01-29 | — | — | US | disclosed |
| 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 |