Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8335175 | 0.99 | SMN1; SMN2 (0.33) | SMN1; SMN2TP53MAPTRAB9ACYP1A2 | |
| SCHEMBL8428726 | 0.81 | TP53 (0.39) | SMN1; SMN2TP53MAPTRAB9APOLB | |
| Hydrochloric Acid SCHEMBL8337102 | 0.80 | TP53 (0.38) | SMN1; SMN2TP53MAPTRAB9APOLB | |
| SCHEMBL8426433 | 0.80 | POLB (0.38) | SMN1; SMN2TP53MAPTRAB9APOLB | |
| SCHEMBL7797854 | 0.79 | TMPRSS4 (0.41) | SMN1; SMN2TP53MAPTRAB9ACYP1A2 | |
| Hydrochloric Acid SCHEMBL8332842 | 0.79 | POLB (0.38) | SMN1; SMN2TP53MAPTRAB9APOLB | |
| SCHEMBL8332877 | 0.78 | CFTR (0.42) | MAPTCYP1A2CYP2C19HTTEPHX2 | |
| Hydrochloric Acid SCHEMBL7791912 | 0.78 | TMPRSS4 (0.40) | SMN1; SMN2TP53MAPTRAB9ACYP1A2 | |
| SCHEMBL8426429 | 0.78 | JUN (0.39) | JUNNFKB1NFKB2RELAPOLB | |
| SCHEMBL8428710 | 0.78 | MAPT (0.40) | MAPTRAB9AMEN1HTTKMT2A |
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-0791577-B1 | Ortho-substituted benzylguanidines, process for their preparation and their use as medicament or diagnostic agent as well as medicament containing them | HOECHST AG (DE) | 1999-11-03 | — | — | EP | claimed |