Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3367025 | 0.78 | NPY5R (0.48) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL24118185 | 0.77 | BCL2L1 (0.36) | CYP2A6BCL2L1BADALDH1A1NPC1 | |
| SCHEMBL5691234 | 0.74 | NPY5R (0.51) | CCR1CCR5CCR8ADRA1ACYP2A6 | |
| SCHEMBL9905481 | 0.74 | BCL2L1 (0.43) | BCL2L1BADALDH1A1MEN1KMT2A | |
| SCHEMBL24913524 | 0.74 | CCR1 (0.57) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL15345164 | 0.74 | CCR1 (0.49) | CCR1CCR5CCR8GRIN2DGRIN3B | |
| SCHEMBL987521 | 0.73 | CCR1 (0.61) | CCR1CCR5CCR8ADRA1DADRA1A | |
| Ammonia Solution, Strong SCHEMBL5691104 | 0.73 | NPY5R (0.50) | CCR1CCR5CCR8ADRA1ACYP2A6 | |
| SCHEMBL3977581 | 0.73 | NPC1 (0.51) | CYP2A6BCL2L1BADMEN1KMT2A | |
| SCHEMBL4974372 | 0.72 | BCL2L1 (0.60) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1565443-A4 | ACETYL 2-HYDROXY-1,3 DIAMINOALKANES | ELAN PHARM INC (US) | 2007-07-18 | — | — | EP | disclosed |
| EP-1565443-A2 | ACETYL 2-HYDROXY-1,3 DIAMINOALKANES | Elan Pharmaceuticals, Inc. (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004024081-A2 | ACETYL 2-HYDROXY-1,3 DIAMINOALKANES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-25 | — | — | WO | disclosed |