Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL6921768 | 0.87 | ALDH1A1 (0.49) | ALDH1A1TSHRF2LMNAMAOB | |
| SCHEMBL9770479 | 0.84 | MEN1 (0.49) | ALDH1A1LMNAMAOBMAPTMEN1 | |
| SCHEMBL10638083 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRF2LMNAMAOB | |
| SCHEMBL16097479 | 0.78 | LMNA (0.48) | ALDH1A1TSHRF2LMNAMAOB | |
| SCHEMBL20299326 | 0.77 | TSHR (0.52) | ALDH1A1TSHRF2LMNAMAOB | |
| SCHEMBL7671999 | 0.77 | TSHR (0.55) | ALDH1A1TSHRF2LMNACHRNB2 | |
| SCHEMBL16764355 | 0.76 | F2 (0.57) | ALDH1A1TSHRF2LMNAMAPT | |
| SCHEMBL6920987 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNA4MAPTMEN1 | |
| SCHEMBL657614 | 0.75 | ALDH1A1 (0.59) | ALDH1A1F2LMNAMAPTMEN1 | |
| SCHEMBL27679166 | 0.75 | ALDH1A1 (0.59) | ALDH1A1F2LMNAMAPTMEN1 |
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 |