Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2612029 | 0.89 | ALDH1A1 (0.43) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| SCHEMBL11340444 | 0.89 | CYP1A2 (0.48) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| Cyclohexane SCHEMBL1243556 | 0.86 | CYP1A2 (0.46) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| SCHEMBL28220192 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| Cyclohexane SCHEMBL4960596 | 0.86 | CYP1A2 (0.46) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| Hydrochloric Acid SCHEMBL4826505 | 0.86 | CYP1A2 (0.46) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| SCHEMBL11032622 | 0.86 | CYP1A2 (0.46) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| Cyclohexane SCHEMBL6664121 | 0.86 | CYP1A2 (0.46) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| SCHEMBL14393923 | 0.83 | TSHR (0.38) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA | |
| SCHEMBL13544534 | 0.80 | ALDH1A1 (0.63) | ALDH1A1CYP1A2SMN1; SMN2USP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |