Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Melatonin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A known ✓ | P48039 | 13/20 | 0.91 |
| ▸ | MTNR1B known ✓ | P49286 | 10/20 | 0.91 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.91 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.91 |
| ▸ | MEN1 | O00255 | 2/20 | 0.91 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.91 |
| ▸ | MPO | P05164 | 1/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.91 |
| ▸ | HTR1A | P08908 | 1/20 | 0.91 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.91 |
| ▸ | HPGD | P15428 | 1/20 | 0.91 |
| ▸ | NQO2 | P16083 | 1/20 | 0.91 |
| ▸ | HTR2B | P41595 | 1/20 | 0.91 |
| ▸ | RAB9A | P51151 | 1/20 | 0.91 |
| ▸ | BLM | P54132 | 1/20 | 0.91 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.91 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.91 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.91 |
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 | |
|---|---|---|---|---|
| Melatonin SCHEMBL7171959 | 1.00 | MTNR1A (0.91) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL29349848 | 0.95 | MTNR1A (1.00) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL4686085 | 0.95 | MTNR1A (1.00) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL19018 | 0.95 | MTNR1A (1.00) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL8060688 | 0.95 | MTNR1A (1.00) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL29153193 | 0.94 | MTNR1A (0.97) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL8850894 | 0.94 | MTNR1A (0.97) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL28743439 | 0.94 | MTNR1A (0.97) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL28895534 | 0.94 | MTNR1A (0.97) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E | |
| Melatonin SCHEMBL28994307 | 0.94 | MTNR1A (0.97) | MTNR1AMTNR1BKMT2AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-112225795-A | 6-hydroxy sulfate melatonin derivative and preparation method and application of immunogen and specific antibody thereof | 湖南苏阳医疗科技有限公司 | 2021-01-15 | — | — | CN | claimed |
| CN-112225795-A | 6-hydroxy sulfate melatonin derivative and preparation method and application of immunogen and specific antibody thereof | 湖南苏阳医疗科技有限公司 | 2021-01-15 | — | — | CN | disclosed |
| CN-107106543-A | Melatonin in autoimmune disease | 布里格姆妇女医院 | 2017-08-29 | — | — | CN | disclosed |