Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3828896 | 0.81 | BRD4 (0.36) | PNMTHSD17B10 | |
| SCHEMBL3832960 | 0.81 | PNMT (0.46) | PNMT | |
| SCHEMBL4638134 | 0.80 | GAA (0.46) | MAPTTSHRMEN1KMT2AGAA | |
| SCHEMBL23848140 | 0.80 | GAA (0.46) | MAPTTSHRMEN1KMT2AGAA | |
| SCHEMBL5732466 | 0.80 | MTNR1A (0.47) | MTNR1AMTNR1BMAPTCYP1A2CYP2C9 | |
| SCHEMBL6618109 | 0.79 | SCN3A (0.41) | PNMTMTNR1AMTNR1BSMYD3MEN1 | |
| SCHEMBL2227073 | 0.78 | SMYD3 (0.52) | MTNR1AMTNR1BMAPTDRD2SMYD3 | |
| SCHEMBL17647569 | 0.75 | MTNR1A (0.39) | PNMTMTNR1AMTNR1BDRD2SMYD3 | |
| SCHEMBL5732501 | 0.73 | DRD2 (0.33) | DRD1DRD2 | |
| SCHEMBL5708835 | 0.72 | PLAU (0.39) | PNMTMAPK1KDM4EMAPTTP53 |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |