Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL22453116 | 0.90 | HIF1A (0.47) | NPC1RAB9ASMN1; SMN2GAAHPGD | |
| SCHEMBL22452576 | 0.89 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2GAAHPGD | |
| SCHEMBL22452656 | 0.82 | EPHX2 (0.47) | NPC1RAB9ASMN1; SMN2HPGDMAPK1 | |
| SCHEMBL22452559 | 0.79 | CNR2 (0.43) | NPC1RAB9ASMN1; SMN2HPGDMAPK1 | |
| SCHEMBL22452997 | 0.78 | EPHX2 (0.40) | NPC1EPHX2CNR2LMNA | |
| SCHEMBL22453425 | 0.77 | HIF1A (0.43) | NPC1RAB9ASMN1; SMN2GAAHPGD | |
| SCHEMBL22452982 | 0.76 | CYP2C9 (0.48) | NPC1SMN1; SMN2MAPTEPHX2MEN1 | |
| SCHEMBL22452808 | 0.76 | CYP2C9 (0.48) | NPC1SMN1; SMN2MAPTEPHX2MEN1 | |
| SCHEMBL22453777 | 0.74 | EPHX2 (0.58) | NPC1RAB9ASMN1; SMN2HPGDMAPK1 | |
| SCHEMBL22453461 | 0.74 | CYP1A2 (0.57) | NPC1RAB9ASMN1; SMN2GAAHPGD |
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 |