Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6928237 | 0.81 | MCHR1 (0.43) | SMN1; SMN2GAAMAPT | |
| SCHEMBL4200907 | 0.80 | SMN1; SMN2 (0.52) | HTTALDH1A1SMN1; SMN2MAPTCYP19A1 | |
| SCHEMBL27884430 | 0.78 | CYP19A1 (0.46) | ALDH1A1MAPTCYP19A1TSHRTDP1 | |
| SCHEMBL2069934 | 0.78 | PKM (1.00) | PKMHTTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL6927122 | 0.77 | CYP19A1 (0.48) | HTTCYP19A1TSHRTDP1KMT2A | |
| SCHEMBL14260331 | 0.76 | MCHR1 (0.47) | ALDH1A1SMN1; SMN2GAAMAPTKDM4E | |
| SCHEMBL11418021 | 0.76 | CYP19A1 (0.73) | PKMHTTALDH1A1SMN1; SMN2POLB | |
| SCHEMBL4667850 | 0.75 | CYP19A1 (0.61) | PKMHTTALDH1A1SMN1; SMN2POLB | |
| SCHEMBL11407797 | 0.74 | CYP19A1 (0.71) | PKMHTTALDH1A1SMN1; SMN2POLB | |
| SCHEMBL11405969 | 0.74 | CYP19A1 (0.71) | PKMHTTALDH1A1SMN1; SMN2POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-1001766-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-1001766-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999001127-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |