Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | TACR1 | P25103 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL7919080 | 1.00 | GBA1 (0.52) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6248843 | 1.00 | GBA1 (0.52) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9205719 | 1.00 | GBA1 (0.52) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17881995 | 0.88 | GBA1 (0.55) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13966630 | 0.88 | GBA1 (0.55) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17870963 | 0.88 | GBA1 (0.55) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13966629 | 0.88 | GBA1 (0.55) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8156437 | 0.83 | CYP1A2 (0.40) | GBA1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8099501 | 0.81 | NPSR1 (0.42) | GBA1TSHRCYP2D6KDM4EMAPK1 | |
| SCHEMBL8099509 | 0.81 | NPSR1 (0.42) | GBA1TSHRCYP2D6KDM4EMAPK1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743939-B1 | ARALKOXY AND ARALKYLTHIO SUBSTITUTED AZACYCLIC COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2000-05-10 | — | — | EP | disclosed |
| EP-0652866-B1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME (GB) | 1998-11-25 | — | — | EP | disclosed |
| US-5665883-A | Aralkoxy and aralkylthio substituted azacyclic compounds as tachykinin antagonists | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-09 | — | — | US | disclosed |
| US-5561130-A | USED TO PREVENT OR TREAT PAIN, INFLAMMATION, MIGRANES AND/OR ARTHRITIS | MERCK SHARP & DOHME LIMITED (GB) | 1996-10-01 | — | — | US | disclosed |
| EP-0600952-B1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME (GB) | 1996-04-17 | — | — | EP | disclosed |
| US-5496833-A | BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-03-05 | — | — | US | disclosed |
| US-5459270-A | Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders | MERCK SHARP & DOHME LIMITED (GB) | 1995-10-17 | — | — | US | disclosed |
| US-5444074-A | Treating diseases associated with excess of substance P | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| EP-0652866-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-05-17 | — | — | EP | disclosed |
| EP-0636130-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |
| EP-0600952-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | MERCK SHARP & DOHME (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994002461-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| WO-1993021181-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |
| WO-1993004040-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LIMITED (GB) | 1993-03-04 | — | — | WO | disclosed |
| EP-0528495-A1 | Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them | MERCK SHARP & DOHME LTD. (GB) | 1993-02-24 | — | — | EP | disclosed |