Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559982 | 0.76 | CYP3A4 (0.61) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL10794603 | 0.76 | CYP3A4 (0.61) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL8846326 | 0.76 | CYP3A4 (0.61) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL9700196 | 0.75 | CYP3A4 (0.59) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL9119911 | 0.75 | CYP3A4 (0.59) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL9428752 | 0.75 | CYP3A4 (0.43) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL9480562 | 0.74 | CYSLTR2 (0.49) | SIGMAR1HPGDSRCGPR84CYSLTR2 | |
| SCHEMBL9118735 | 0.73 | CYP3A4 (0.53) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL15428220 | 0.73 | CYP3A4 (0.53) | CYP3A4TSHRKDM4EALDH1A1MAPT | |
| SCHEMBL9949898 | 0.72 | CEL (0.49) | SIGMAR1HPGDSRCGPR84CYSLTR2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0358240-B1 | INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-06-09 | — | — | EP | disclosed |
| US-5034537-A | Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-23 | — | — | US | disclosed |
| US-4939279-A | Leukotriene antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0202759-B1 | LEUKOTRIENE ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1990-06-20 | — | — | EP | disclosed |
| EP-0358240-A2 | Intermediates for the preparation of leukotriene antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1990-03-14 | — | — | EP | disclosed |
| US-4874792-A | RESPIRATORY SYSTEM DISORDERS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-10-17 | — | — | US | disclosed |
| US-4820719-A | ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-11 | — | — | US | disclosed |
| US-4730005-A | DITHIA-ALKANEDIOIC ACIDS | SMITHKLINE BECKMAN CORPORATION (US) | 1988-03-08 | — | — | US | disclosed |
| EP-0168902-B1 | LEUKOTRIENE ANTAGONISTS | SMITHKLINE BECKMAN CORPORATION (US) | 1987-09-30 | — | — | EP | disclosed |
| EP-0202759-A2 | Leukotriene antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1986-11-26 | — | — | EP | disclosed |
| EP-0168902-A1 | Leukotriene antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1986-01-22 | — | — | EP | disclosed |