Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.66 |
| ▸ | GRIN2D | O15399 | 11/20 | 0.66 |
| ▸ | GRIN3B | O60391 | 11/20 | 0.66 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.66 |
| ▸ | GRIN2A | Q12879 | 11/20 | 0.66 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.66 |
| ▸ | GRIN2C | Q14957 | 11/20 | 0.66 |
| ▸ | GRIN3A | Q8TCU5 | 11/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | EBP | Q15125 | 1/20 | 0.66 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.66 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9059537 | 1.00 | SIGMAR1 (0.66) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL29765243 | 0.86 | SIGMAR1 (0.68) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Ditolylguanidine SCHEMBL29364709 | 0.79 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Ditolylguanidine SCHEMBL80339 | 0.79 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Ditolylguanidine SCHEMBL158674 | 0.79 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9227594 | 0.79 | SIGMAR1 (0.70) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL29812626 | 0.79 | SIGMAR1 (0.60) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Ditolylguanidine SCHEMBL3388414 | 0.79 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1931049 | 0.79 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7435471 | 0.79 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |