Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7064837 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ATMHCAR2NAAARAB9A | |
| Hydrochloric Acid SCHEMBL7464388 | 0.76 | ALDH1A1 (0.41) | ALDH1A1ATMHCAR2NAAARAB9A | |
| SCHEMBL1759122 | 0.76 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2NAAARAB9A | |
| SCHEMBL3059935 | 0.76 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2NAAARAB9A | |
| SCHEMBL18528337 | 0.74 | NOS3 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL8382644 | 0.71 | ALDH1A1 (0.42) | ALDH1A1ATMHCAR2NAAARAB9A | |
| SCHEMBL5422105 | 0.70 | ALDH1A1 (0.41) | ALDH1A1ATMHCAR2NAAAMAPT | |
| SCHEMBL9716802 | 0.70 | ALDH1A1 (0.38) | ALDH1A1ATMHCAR2MAPTTSHR | |
| SCHEMBL9716798 | 0.70 | ALDH1A1 (0.38) | ALDH1A1ATMHCAR2MAPTTSHR | |
| SCHEMBL16862534 | 0.70 | ALDH1A1 (0.35) | ALDH1A1ATMHCAR2RAB9AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008009963-A2 | PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |