Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14443276 | 0.82 | CYP2D6 (0.66) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL21729501 | 0.77 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL21366071 | 0.77 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14846775 | 0.77 | CYP2D6 (0.65) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL787042 | 0.76 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29045275 | 0.75 | CA1 (0.49) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL12516683 | 0.75 | CYP2D6 (0.58) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1134617 | 0.74 | CYP2D6 (0.61) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29045330 | 0.73 | CA1 (0.46) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL12004248 | 0.73 | CYP2D6 (0.64) | CYP2D6CA1CA2CA7CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547287-A | Inhibitors of APOL1 and methods of use thereof | 弗特克斯药品有限公司 | 2023-08-04 | — | — | CN | disclosed |
| EP-4204423-A1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | Vertex Pharmaceuticals Incorporated (US) | 2023-07-05 | — | — | EP | disclosed |
| WO-2022047031-A1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-03-03 | — | — | WO | disclosed |