Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL135289 | 0.86 | CASP6 (0.47) | VCAM1TSHRCASP6TPMTHCAR3 | |
| Methylamine SCHEMBL11877019 | 0.85 | TSHR (0.44) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL31108456 | 0.85 | ALDH1A1 (0.57) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL573259 | 0.85 | ALDH1A1 (0.57) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL7822590 | 0.84 | VCAM1 (0.67) | VCAM1ALDH1A1POLBLMNAKDM4E | |
| SCHEMBL11847710 | 0.84 | HCAR3 (0.47) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL573520 | 0.84 | HCAR3 (0.47) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL30241160 | 0.82 | MAPT (0.44) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL28945979 | 0.82 | MAPT (0.44) | VCAM1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL3146159 | 0.82 | CASP6 (0.60) | VCAM1TSHRCASP6TPMTHCAR3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| CN-1080257-C | Guanidine derivatives as inhibitors of Na+/H+ exchange in cells | FUJISAWA PHARMACEUTICAL CO (JP) | 2002-03-06 | — | — | CN | disclosed |
| EP-0699185-B1 | GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-5824691-A | CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-20 | — | — | US | disclosed |
| EP-0556674-B1 | 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity | HOECHST AG (DE) | 1996-06-19 | — | — | EP | disclosed |
| CN-1123545-A | Guanidine derivatives as inhibitors of Na+/H+ exchange in cells | FUJISAWA PHARMACEUTICAL CO (JP) | 1996-05-29 | — | — | CN | disclosed |
| EP-0699185-A1 | GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-03-06 | — | — | EP | disclosed |
| US-5373024-A | 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-12-13 | — | — | US | disclosed |
| WO-1994026709-A1 | GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-24 | — | — | WO | disclosed |
| EP-0556674-A1 | 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-25 | — | — | EP | disclosed |
| US-3953476-A | DIURETICS | MERCK & CO., INC. (US) | 1976-04-27 | — | — | US | disclosed |