Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24287774 | 0.84 | P2RY1 (0.40) | TP53 | |
| SCHEMBL24287258 | 0.73 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL24287425 | 0.73 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL24287526 | 0.71 | MAPT (0.39) | ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL26817474 | 0.71 | KDM4E (0.64) | ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14050665 | 0.68 | MAPT (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL26813123 | 0.65 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30901366 | 0.65 | POLB (0.36) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL24287379 | 0.61 | LMNA (0.34) | ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL127000 | 0.61 | TSHR (0.65) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 |
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-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |