Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5220371 | 0.86 | HTR2C (0.44) | CASRNPC1RAB9ATAAR1MRGPRX4 | |
| SCHEMBL1155054 | 0.85 | NPC1 (0.52) | CASRNPC1RAB9ATAAR1MRGPRX4 | |
| SCHEMBL5217387 | 0.85 | CASR (0.41) | CASRNPC1RAB9ATAAR1KCNH2 | |
| SCHEMBL5224566 | 0.83 | MAPK14 (0.47) | CASRNPC1TAAR1MAPTLMNA | |
| SCHEMBL5225071 | 0.82 | CASR (0.51) | CASRCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL5222695 | 0.81 | MAPK14 (0.40) | CASRNPC1RAB9AMRGPRX4MAPT | |
| SCHEMBL1154474 | 0.81 | CYP11B1 (0.43) | NPC1RAB9AMRGPRX4MAPTLMNA | |
| SCHEMBL1154302 | 0.80 | LMNA (0.43) | CASRNPC1RAB9ATAAR1CYP1A2 | |
| SCHEMBL1154219 | 0.79 | NPC1 (0.51) | CASRNPC1RAB9ATAAR1MRGPRX4 | |
| SCHEMBL5223526 | 0.79 | HSD11B1 (0.43) | CASRNPC1RAB9ATAAR1MRGPRX4 |
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-1765810-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | Decode Chemistry, Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123724-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | DECODE CHEMISTRY, INC. (US) | 2005-12-29 | — | — | WO | disclosed |