Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18703021 | 1.00 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP3A4RECQLKMT2A | |
| SCHEMBL17978448 | 0.98 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4RECQLKMT2A | |
| SCHEMBL30764833 | 0.87 | NPC1 (0.54) | ALDH1A1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL8291562 | 0.87 | NPC1 (0.54) | ALDH1A1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL28732684 | 0.86 | TSHR (0.44) | ALDH1A1TSHRCYP3A4RECQLKMT2A | |
| SCHEMBL18702796 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP3A4RECQLKMT2A | |
| SCHEMBL29502996 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP3A4RECQLKMT2A | |
| SCHEMBL21617077 | 0.84 | NPC1 (0.51) | ALDH1A1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL31009389 | 0.83 | PDE5A (0.49) | ALDH1A1TSHRCYP3A4KMT2ARAB9A | |
| SCHEMBL29502909 | 0.82 | NPBWR1 (0.46) | ALDH1A1KMT2ARAB9AMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108430994-B | Compounds, compositions and methods for modulating CFTR | 蛋白质平衡治疗股份有限公司 | 2022-04-12 | — | — | CN | disclosed |