Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12216017 | 0.85 | CYP2D6 (0.54) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL12192504 | 0.82 | CYP2D6 (0.51) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL26784166 | 0.82 | CYP2D6 (0.51) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL26784810 | 0.82 | LMNA (0.51) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL28424416 | 0.79 | CYP2D6 (0.53) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL29155851 | 0.79 | CYP2D6 (0.49) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL17261806 | 0.78 | CHRM1 (0.56) | LMNACYP1A2CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL25380908 | 0.78 | LMNA (0.50) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL7058546 | 0.78 | LMNA (0.50) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL23870850 | 0.78 | CYP2D6 (0.47) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0017012-B1 | DYES AND PROCESS FOR THE GENERATION OF TINTS BASED ON OPTIONALLY SUBSTITUTED 2-AMINO-5-IMINOPYRROLENINES | BAYER AG (DE) | 1983-10-05 | — | — | EP | disclosed |
| EP-0017009-A2 | Dyes and tints based on optionally substituted 2-amino-5-iminopyrrolenines | BAYER AG (DE) | 1980-10-15 | — | — | EP | disclosed |
| EP-0017012-A2 | Dyes and process for the generation of tints based on optionally substituted 2-amino-5-iminopyrrolenines | BAYER AG (DE) | 1980-10-15 | — | — | EP | disclosed |