Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452517 | 0.82 | CYP11B1 (0.43) | CYP19A1MAPTCYP1A2 | |
| SCHEMBL22452785 | 0.80 | MAPT (0.48) | MAPTHTTNPSR1HDAC1HDAC6 | |
| SCHEMBL31168054 | 0.76 | ALDH1A1 (0.57) | MAPTHTTMEN1KMT2A | |
| SCHEMBL22452681 | 0.76 | ALDH1A1 (0.57) | MAPTHTTMEN1KMT2A | |
| SCHEMBL22453417 | 0.76 | CYP11B1 (0.48) | MAPTHTTNPSR1CYP2C9 | |
| SCHEMBL22452572 | 0.76 | MAPT (0.45) | MAPTHTTNPSR1CYP1A2CYP2C9 | |
| SCHEMBL22452964 | 0.75 | NPC1 (0.43) | MAPTMEN1KMT2A | |
| SCHEMBL22452687 | 0.73 | EPHX2 (0.53) | CYP2C9 | |
| SCHEMBL28677742 | 0.72 | NPC1 (0.40) | MAPTHTTMEN1KMT2A | |
| SCHEMBL22453415 | 0.71 | SERPINE1 (0.53) | MAPTMEN1KMT2A |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |