Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10122763 | 0.88 | NISCH (0.44) | NISCHSMN1; SMN2TP53METAP2RAB9A | |
| SCHEMBL14016423 | 0.79 | NPC1 (0.41) | NISCHSMN1; SMN2METAP2RAB9ANPC1 | |
| SCHEMBL12427251 | 0.75 | DDX3X (0.41) | SMN1; SMN2RAB9ANPC1GAAMAPT | |
| SCHEMBL27432903 | 0.74 | MEN1 (0.31) | POLBMAPTMEN1KMT2A | |
| SCHEMBL12720181 | 0.68 | — | — | |
| SCHEMBL1702558 | 0.68 | TP53 (0.56) | NISCHSMN1; SMN2TP53METAP2EGFR | |
| SCHEMBL2776957 | 0.68 | TP53 (0.56) | NISCHSMN1; SMN2TP53METAP2EGFR | |
| SCHEMBL4321920 | 0.68 | NISCH (0.44) | NISCHSMN1; SMN2TP53METAP2RAB9A | |
| SCHEMBL10259402 | 0.66 | — | — | |
| SCHEMBL24363745 | 0.65 | CHRNB4 (0.50) | NISCHSMN1; SMN2METAP2RAB9ANPC1 |
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-2024116053-A1 | PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF | NOVARTIS AG (CH) | 2024-06-06 | — | — | WO | disclosed |