Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8435193 | 0.88 | SMN1; SMN2 (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL8823589 | 0.84 | TUBB4A (0.50) | NPC1RAB9AALDH1A1TSHRPOLB | |
| SCHEMBL8823569 | 0.83 | ALDH1A1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2NFKB1 | |
| SCHEMBL6550829 | 0.83 | CTSB (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL7268595 | 0.80 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL8823524 | 0.78 | ALDH1A1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL7491139 | 0.78 | CTSB (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL7718459 | 0.76 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TSHRPOLBKMT2A | |
| SCHEMBL8434256 | 0.75 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9308698 | 0.74 | ALDH1A1 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6407258-B1 | CYCLIZATION A AMINOAMIDE COMPOUND IN PRESENCE OF ANALKYLPHOSPHONIC ANHYDRIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-06-18 | — | — | US | disclosed |