Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | DVL1 | O14640 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054835 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL | |
| SCHEMBL9057548 | 0.89 | FFAR4 (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL | |
| SCHEMBL9057543 | 0.89 | FFAR4 (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL | |
| SCHEMBL9053281 | 0.84 | HTR2C (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4NPC1 | |
| SCHEMBL9053271 | 0.84 | HTR2C (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4NPC1 | |
| SCHEMBL9053881 | 0.83 | CTSL (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL | |
| SCHEMBL9053872 | 0.83 | CTSL (0.38) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL | |
| SCHEMBL9053967 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1DVL1FFAR4NPC1 | |
| SCHEMBL9053975 | 0.80 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1DVL1FFAR4NPC1 | |
| SCHEMBL9053717 | 0.80 | FFAR4 (0.36) | SMN1; SMN2ALDH1A1DVL1FFAR4CTSL |
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-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |