Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CHRND | Q07001 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1459704 | 0.83 | HPGD (0.47) | HTTPRSS1PRSS2PRSS3SMN1; SMN2 | |
| SCHEMBL18761747 | 0.81 | CYP1A2 (0.47) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL11063883 | 0.80 | PRSS1 (0.61) | CYP1A2CYP3A4HTTPRSS1PRSS2 | |
| SCHEMBL29757192 | 0.80 | PRSS1 (0.61) | CYP1A2CYP3A4HTTPRSS1PRSS2 | |
| SCHEMBL19269064 | 0.79 | PRSS1 (0.67) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL482111 | 0.79 | CHRNA1 (0.50) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| Hydrochloric Acid SCHEMBL8796442 | 0.78 | CHRNA1 (0.49) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL7399083 | 0.76 | L3MBTL1 (0.47) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL16954457 | 0.76 | CHRNA1 (0.46) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL18112971 | 0.75 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HTT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100500-A1 | THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION | THOMAS JEFFERSON UNIVERSITY (US) | 2001-05-23 | — | — | 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 |
| WO-2000004903-A1 | THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION | THOMAS JEFFERSON UNIVERSITY (US) | 2000-02-03 | — | — | WO | 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 |
| US-5801170-A | Heterocyclic biphenylylamides useful as 5HT1D antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-09-01 | — | — | 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-0783518-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | 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 |
| US-5510350-A | USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS | GLAXO GROUP LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | WO | disclosed |
| US-5340810-A | Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system | GLAXO GROUP LIMITED (GB) | 1994-08-23 | — | — | US | disclosed |
| EP-0533268-A1 | Benzanilide derivatives as 5-HT1D antagonists | GLAXO GROUP LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |