Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24287259 | 0.82 | GAA (0.56) | SMN1; SMN2L3MBTL1TSHRMEN1KMT2A | |
| SCHEMBL18796404 | 0.81 | LCK (0.52) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL18796088 | 0.81 | L3MBTL1 (0.47) | ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD | |
| SCHEMBL16795314 | 0.81 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL26813123 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL24287256 | 0.79 | L3MBTL1 (0.45) | ALDH1A1L3MBTL1TSHRHPGDCYP1A2 | |
| SCHEMBL22372364 | 0.78 | L3MBTL1 (0.47) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL24287257 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD | |
| SCHEMBL804981 | 0.75 | TSHR (0.61) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL11401433 | 0.75 | L3MBTL1 (0.74) | SMN1; SMN2L3MBTL1TSHRHPGDKDM4E |
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 |