Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.71 |
| ▸ | MEN1 | O00255 | 6/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | HTR6 | P50406 | 3/20 | 0.71 |
| ▸ | RECQL | P46063 | 3/20 | 0.71 |
| ▸ | HPGD | P15428 | 3/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.71 |
| ▸ | DRD2 | P14416 | 2/20 | 0.71 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.71 |
| ▸ | DRD1 | P21728 | 2/20 | 0.71 |
| ▸ | HTR2A | P28223 | 2/20 | 0.71 |
| ▸ | HTR2C | P28335 | 2/20 | 0.71 |
| ▸ | DRD3 | P35462 | 2/20 | 0.71 |
| ▸ | HTR2B | P41595 | 2/20 | 0.71 |
| ▸ | CASP1 | P29466 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL11208707 | 0.97 | HSD17B10 (0.72) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL5425849 | 0.94 | HSD17B10 (0.74) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL26265120 | 0.94 | HSD17B10 (0.74) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL30417228 | 0.92 | HTR6 (0.70) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL26265117 | 0.89 | MEN1 (0.71) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL670696 | 0.88 | HTR6 (0.76) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL31079449 | 0.88 | HTR6 (0.76) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL13475442 | 0.88 | HTR6 (0.76) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL26265139 | 0.85 | HTR6 (0.81) | HSD17B10MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL25545437 | 0.85 | MEN1 (0.79) | HSD17B10MEN1KMT2ACYP2D6KDM4E |
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-0029082-B1 | 1-BENZYLATED ERGOMETRINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | VEB Arzneimittelwerk Dresden (DD) | 1983-04-20 | — | — | EP | disclosed |
| US-4235912-A | ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, ANTISEROTONINE AGENTS | RICHTER GEDEON VEGYESZETI GYAR RT (HU) | 1980-11-25 | — | — | US | disclosed |