Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.64 |
| ▸ | NOS2 | P35228 | 2/20 | 0.64 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL943294 | 0.78 | NOS3 (1.00) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL18469859 | 0.76 | NOS3 (0.64) | NOS3NOS2NOS1LCKALDH1A1 | |
| Hydrochloric Acid SCHEMBL28377173 | 0.76 | NOS3 (0.95) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL6299860 | 0.76 | NOS3 (0.64) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL6264496 | 0.74 | NOS3 (0.61) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL20028512 | 0.74 | NOS3 (0.68) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL10037144 | 0.73 | NOS3 (0.59) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL14599971 | 0.73 | NOS3 (0.59) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL8345724 | 0.73 | NOS3 (0.59) | NOS3NOS2NOS1LCKALDH1A1 | |
| SCHEMBL14185030 | 0.73 | NOS3 (0.59) | NOS3NOS2NOS1LCKALDH1A1 |
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-3152193-B1 | TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN | HOLZGRABE ULRIKE (DE) | 2018-03-28 | — | — | EP | disclosed |