Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28015853 | 0.84 | SMN1; SMN2 (0.36) | ALDH1A1KDM4ETSHRMMEPOLB | |
| SCHEMBL28350765 | 0.83 | CYP1A2 (0.40) | ALDH1A1KDM4EHSP90AA1NPC1MAPT | |
| SCHEMBL28350922 | 0.81 | MME (0.36) | ALDH1A1KDM4EALOX15MMEPOLB | |
| SCHEMBL28350979 | 0.78 | MEN1 (0.32) | ALDH1A1KDM4EMMEMAPTRAB9A | |
| SCHEMBL28347792 | 0.75 | POLB (0.42) | ALDH1A1TSHRPOLBMAPK1SMN1; SMN2 | |
| SCHEMBL3822179 | 0.75 | FBP1 (0.41) | ALDH1A1KDM4EALOX15NPC1MAPT | |
| SCHEMBL28347892 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4ETSHRPOLBNPC1 | |
| SCHEMBL28347719 | 0.73 | MAPT (0.50) | ALDH1A1KDM4ETSHRHSP90AA1NPC1 | |
| SCHEMBL2139887 | 0.71 | KDM4E (0.53) | ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL27829067 | 0.69 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775691-B1 | Process for the preparation of nitriles | HOFFMANN LA ROCHE (CH) | 2000-01-26 | — | — | EP | disclosed |
| US-5817827-A | SULFUR TRIOXIDE-AMINE ADDUCT CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0775691-A1 | Process for the preparation of nitriles | F. HOFFMANN-LA ROCHE AG (CH) | 1997-05-28 | — | — | EP | disclosed |