Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769164 | 0.86 | KMT2A (0.67) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL24629452 | 0.86 | KMT2A (0.67) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL9672996 | 0.84 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL3970414 | 0.83 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7959628 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL5469490 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10448976 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL14799105 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20679550 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23120213 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E |
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-2012006104-A2 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION | Academia Sinica, Taiwan (TW) | 2012-01-12 | — | — | WO | disclosed |