Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679612 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL30543046 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| Ammonia Solution, Strong SCHEMBL8748291 | 0.98 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL2244893 | 0.94 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL6398343 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL30668793 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL28031451 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL29350218 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL6686635 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| SCHEMBL27782985 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA |
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-2023156832-A1 | A PROCESS FOR PREPARATION OF HIGHLY PURE 4-(N-BUTYL) ANILINE | VINATI ORGANICS LIMITED (IN) | 2023-08-24 | — | — | WO | disclosed |