Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608283 | 0.82 | CHRNB2 (0.56) | TSHRCHRNB2CHRNA4LTA4HKDM4E | |
| SCHEMBL12409068 | 0.82 | CHRNB2 (0.56) | TSHRCHRNB2CHRNA4LTA4HKDM4E | |
| SCHEMBL1641682 | 0.81 | CHRNB2 (0.65) | TSHRCHRNB2CHRNA4CYP3A4TP53 | |
| SCHEMBL7872686 | 0.81 | LTA4H (0.55) | TSHRCHRNB2CHRNA4LTA4HKDM4E | |
| Hydrochloric Acid SCHEMBL309555 | 0.80 | CHRNB2 (0.63) | TSHRCHRNB2CHRNA4CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL310652 | 0.80 | CHRNB2 (0.63) | TSHRCHRNB2CHRNA4CYP3A4TP53 | |
| SCHEMBL6802602 | 0.80 | LTA4H (0.61) | TSHRCHRNB2CHRNA4LTA4HMAOB | |
| SCHEMBL7875705 | 0.79 | TSHR (0.54) | TSHRCHRNB2CHRNA4LTA4HKDM4E | |
| SCHEMBL6443597 | 0.79 | LTA4H (0.75) | CHRNB2CHRNA4LTA4HESR1ESR2 | |
| SCHEMBL1642498 | 0.79 | TSHR (0.63) | TSHRCYP3A4TP53LTA4HMAOB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100485-A4 | SUBSTITUTED ANILIDE COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2004-06-09 | — | — | EP | disclosed |
| EP-1001766-B1 | COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6515027-B1 | Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 | SMITHKLINE BEECHAM CORP. | 2003-02-04 | — | — | US | disclosed |
| EP-1100485-A1 | SUBSTITUTED ANILIDE COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | disclosed |
| EP-1001766-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2001-04-04 | — | — | EP | disclosed |
| WO-2000006146-A9 | SUBSTITUTED ANILIDE COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2000-08-03 | — | — | WO | disclosed |
| EP-1001766-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-2000006146-A1 | SUBSTITUTED ANILIDE COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-1999001127-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |