Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KRAS | P01116 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8874067 | 0.80 | CNR1 (0.50) | MAPTALDH1A1KDM4ECNR1EGFR | |
| SCHEMBL10943017 | 0.78 | HTT (0.51) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL3220346 | 0.76 | MAPT (0.41) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL18383120 | 0.76 | MAPT (0.69) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL8722219 | 0.76 | IMPDH2 (0.52) | MAPTALDH1A1KDM4ECNR1MEN1 | |
| SCHEMBL14979225 | 0.76 | MEN1 (0.52) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL669111 | 0.74 | HTT (0.73) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL27228470 | 0.74 | GRIN2D (0.54) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL4423600 | 0.73 | MAPT (0.65) | MAPTCYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL9664534 | 0.73 | MAPT (0.65) | MAPTCYP3A4ALDH1A1KDM4EGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |
| EP-2083818-A2 | MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS | University of Sunderland (GB) | 2009-08-05 | — | — | EP | claimed |
| WO-2008062167-A2 | MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS | UNIVERSITY OF SUNDERLAND (GB) | 2008-05-29 | — | — | WO | claimed |
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | disclosed |
| EP-2083818-A2 | MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS | University of Sunderland (GB) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008062167-A2 | MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS | UNIVERSITY OF SUNDERLAND (GB) | 2008-05-29 | — | — | WO | disclosed |