Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4807799 | 0.67 | TDP1 (0.35) | CYP2C19ACHENISCHHPGD | |
| SCHEMBL18660003 | 0.67 | NPC1 (0.34) | NPC1RAB9ASMN1; SMN2CASP3SENP8 | |
| SCHEMBL197690 | 0.67 | ACHE (0.64) | CYP1A2NPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL30169568 | 0.67 | ACHE (0.64) | CYP1A2NPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL30354037 | 0.67 | ACHE (0.64) | CYP1A2NPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL14979049 | 0.65 | BRD4 (0.39) | CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9066417 | 0.65 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2CASP3SENP8 | |
| SCHEMBL5156759 | 0.65 | ALDH1A1 (0.32) | BRD4ALDH1A1HTT | |
| SCHEMBL291471 | 0.65 | — | — | |
| SCHEMBL23628383 | 0.64 | MAOA (0.35) | NPC1RAB9ASMN1; SMN2CASP3SENP8 |
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-0121082-A1 | Guanidin derivatives | BAYER AG (DE) | 1984-10-10 | — | — | EP | disclosed |