Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30016504 | 1.00 | BACE1 (0.48) | BACE1BRD4AKR1B1LMNAHPGD | |
| SCHEMBL449103 | 0.82 | AKR1B1 (0.50) | BACE1AKR1B1LMNAHPGDHTT | |
| SCHEMBL30297507 | 0.80 | TSHR (0.56) | AKR1B1LMNAHPGDPOLBHSD17B10 | |
| SCHEMBL445231 | 0.80 | BACE1 (0.49) | BACE1AKR1B1 | |
| SCHEMBL1814392 | 0.78 | BACE1 (0.51) | BACE1BRD4LMNAHTTMAPT | |
| SCHEMBL17605103 | 0.77 | KMT2A (0.53) | LMNAPOLBMEN1MAPTKMT2A | |
| SCHEMBL21132278 | 0.76 | LMNA (0.41) | LMNAHPGDPOLBHSD17B10MEN1 | |
| SCHEMBL1978797 | 0.76 | BACE1 (0.46) | BACE1AKR1B1MAPT | |
| SCHEMBL17606047 | 0.75 | TSHR (0.63) | AKR1B1 | |
| SCHEMBL17606065 | 0.75 | TSHR (0.63) | AKR1B1 |
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-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |