Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452533 | 0.92 | ALDH1A1 (0.49) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL22453520 | 0.86 | SERPINE1 (0.51) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL31555349 | 0.86 | SERPINE1 (0.51) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL22452527 | 0.85 | SERPINE1 (0.57) | NPC1EPHX2HIF1AEPAS1PGR | |
| SCHEMBL22453497 | 0.85 | SERPINE1 (0.57) | NPC1EPHX2HIF1AEPAS1PGR | |
| SCHEMBL22452498 | 0.85 | HIF1A (0.60) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL31555348 | 0.85 | HIF1A (0.60) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL22452488 | 0.83 | SERPINE1 (0.64) | NPC1EPHX2HIF1AEPAS1PGR | |
| SCHEMBL22453247 | 0.83 | EPHX2 (0.65) | NPC1ALDH1A1EPHX2HIF1AEPAS1 | |
| SCHEMBL22453626 | 0.82 | SERPINE1 (0.65) | NPC1EPHX2HIF1AEPAS1PGR |
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 |