Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL19903214 | 0.81 | HPGD (0.39) | ALDH1A1KMT2ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL20311368 | 0.81 | MAOB (0.38) | KDM4EALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL19903237 | 0.79 | HPGD (0.38) | KDM4EALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL22643093 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1NPC1RAB9AMAOA | |
| SCHEMBL20108451 | 0.76 | KMT2A (0.49) | KDM4EALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL20108497 | 0.71 | HSD11B1 (0.37) | ALDH1A1KMT2AMEN1MAOAMAOB | |
| SCHEMBL16611429 | 0.68 | MAPT (0.53) | KDM4EALDH1A1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL19903239 | 0.68 | TSHR (0.37) | ALDH1A1MAOAMAOBCYP2A6 | |
| SCHEMBL19903254 | 0.68 | MAOA (0.34) | KMT2ASMN1; SMN2MEN1MAOAMAOB | |
| SCHEMBL19903359 | 0.68 | MAOA (0.34) | MAOAMAOBCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |