Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | MASP2 | O00187 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL534419 | 0.89 | SMYD3 (0.39) | CYP3A4CYP2D6CYP1A2TSHRMAPK1 | |
| SCHEMBL1716130 | 0.74 | SMYD3 (0.52) | SMYD3MTNR1AGAAMAPTHTR1A | |
| SCHEMBL516129 | 0.70 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP1A2TSHRMAPK1 | |
| SCHEMBL516715 | 0.69 | CYP2D6 (0.58) | CYP3A4CYP2D6CYP1A2TSHRMAPK1 | |
| SCHEMBL23275075 | 0.69 | MTNR1A (0.46) | SMYD3MTNR1AGAAMAPTF2 | |
| SCHEMBL7954949 | 0.69 | SMYD3 (0.46) | SMYD3MTNR1AGAAMAPTHTR1A | |
| SCHEMBL515941 | 0.67 | SMYD3 (0.36) | CYP3A4CYP2D6CYP1A2TSHRMAPK1 | |
| SCHEMBL515942 | 0.67 | SMYD3 (0.36) | CYP3A4CYP2D6CYP1A2TSHRMAPK1 | |
| SCHEMBL28119251 | 0.66 | SMYD3 (0.44) | SMYD3MTNR1AGAAMAPT | |
| SCHEMBL8568359 | 0.65 | MTNR1A (0.50) | TSHRSMYD3MTNR1AGAA |
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-2414323-A1 | DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS | Pierre Fabre Médicament (FR) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112597-A1 | DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS | PIERRE FABRE MEDICAMENT (FR) | 2010-10-07 | — | — | WO | disclosed |