Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12692897 | 0.91 | PDE5A (0.39) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL14250228 | 0.89 | MTNR1A (0.46) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL15960993 | 0.89 | MTNR1A (0.44) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL12692892 | 0.89 | MTNR1A (0.37) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL14314428 | 0.88 | MTNR1A (0.45) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL12692905 | 0.88 | MTNR1A (0.36) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL12692893 | 0.87 | MTNR1A (0.38) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL12692915 | 0.85 | MTNR1A (0.37) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL12630208 | 0.84 | ALDH1A1 (0.43) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 | |
| SCHEMBL15305097 | 0.84 | ALDH1A1 (0.43) | MTNR1ACYP1A2HSD17B10CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2721034-B1 | N-HETEROTRICYCLIC ANTIBIOTICS | BASILEA PHARMACEUTICA AG (CH) | 2016-07-20 | — | — | EP | disclosed |