Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | PYCR1 | P32322 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4406268 | 0.89 | HRH3 (0.50) | PYCR1HRH3MAPTCARM1PRMT6 | |
| SCHEMBL29083510 | 0.81 | PYCR1 (0.64) | TAAR1HTR2APYCR1KDM4EALDH1A1 | |
| SCHEMBL6268253 | 0.80 | PYCR1 (0.53) | TAAR1HTR2APYCR1KDM4EALDH1A1 | |
| SCHEMBL9125321 | 0.80 | MAPT (0.62) | ALDH1A1HRH3MAPTMAOBCARM1 | |
| SCHEMBL4592016 | 0.78 | PYCR1 (0.52) | TAAR1PYCR1KDM4EALDH1A1HRH3 | |
| SCHEMBL2346063 | 0.77 | CARM1 (0.63) | TAAR1HTR2AKDM4EALDH1A1CARM1 | |
| Hydrochloric Acid SCHEMBL3665790 | 0.76 | CARM1 (0.61) | TAAR1HTR2AKDM4EALDH1A1CARM1 | |
| SCHEMBL29860798 | 0.76 | CARM1 (0.61) | TAAR1HTR2AKDM4EALDH1A1CARM1 | |
| SCHEMBL17795575 | 0.75 | TAAR1 (0.44) | TAAR1HTR2APYCR1KDM4EALDH1A1 | |
| SCHEMBL713426 | 0.75 | MAPT (0.55) | HRH3MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0540975-B1 | Diethylenetriamine derivatives and their use for diagnostic and therapeutic purposes | BAYER AG (DE) | 1996-01-10 | — | — | EP | disclosed |
| EP-0540975-A1 | Diethylenetriamine derivatives and their use for diagnostic and therapeutic purposes | BAYER AG (DE) | 1993-05-12 | — | — | EP | disclosed |