Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1219905 | 0.87 | CHRNB2 (0.58) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL4200907 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL5275797 | 0.81 | CHRNB2 (0.58) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL6925933 | 0.81 | MAPT (0.52) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL6431028 | 0.79 | MAPT (0.59) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL7416033 | 0.79 | CYP19A1 (0.59) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL7007132 | 0.79 | MAPT (0.53) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL7403010 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL7399378 | 0.78 | HTT (0.59) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 | |
| SCHEMBL985801 | 0.78 | MAPT (0.61) | SMN1; SMN2MAPTHPGDNPC1CYP1A2 |
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 2 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 |