Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.65 |
| ▸ | RARB | P10826 | 3/20 | 0.55 |
| ▸ | ADH5 | P11766 | 2/20 | 0.52 |
| ▸ | RXRA | P19793 | 2/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2561933 | 0.93 | HSD17B1 (0.70) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL11507830 | 0.91 | RARB (0.63) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL14540358 | 0.89 | RARB (0.61) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL5608472 | 0.87 | HSD17B1 (0.62) | HSD17B1RARBADH5ALDH1A1KDM4E | |
| SCHEMBL14947555 | 0.87 | HSD17B1 (0.51) | HSD17B1RARBADH5ALDH1A1KDM4E | |
| SCHEMBL31628308 | 0.87 | ADH5 (0.56) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL4091247 | 0.86 | HSD17B1 (0.81) | HSD17B1RARBADH5MAPTNPC1 | |
| SCHEMBL25597224 | 0.86 | HSD17B1 (0.60) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL31084430 | 0.85 | RXRA (0.58) | HSD17B1RARBADH5RXRARXRB | |
| SCHEMBL31084426 | 0.85 | RXRA (0.58) | HSD17B1RARBADH5RXRARXRB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0777650-B1 | BIPHENYLAMIDE DERIVATIVES AS 5HT 1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2001-03-07 | — | — | EP | disclosed |
| EP-0799226-B1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2001-02-07 | — | — | EP | disclosed |
| US-5972951-A | Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists | SMITHKLINE BEECHAM PLC (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0752982-B1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-14 | — | — | EP | disclosed |
| US-5817833-A | Biphenylamide compounds as 5HT1D Antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-10-06 | — | — | US | disclosed |
| EP-0799226-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |
| EP-0777650-A1 | BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-11 | — | — | EP | disclosed |
| EP-0752982-A1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-01-15 | — | — | EP | disclosed |
| WO-1996019477-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-27 | — | — | WO | disclosed |
| WO-1996006079-A1 | BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-02-29 | — | — | WO | disclosed |
| WO-1995026328-A1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-05 | — | — | WO | disclosed |