Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9054060 | 0.87 | SMN1; SMN2 (0.39) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL9051302 | 0.86 | NOS2 (0.48) | ALDH1A1MAPTMEN1KMT2ANOS3 | |
| SCHEMBL8309586 | 0.85 | NOS3 (0.58) | ALDH1A1MAPTKDM4EPKMNOS3 | |
| Hydrochloric Acid SCHEMBL9053259 | 0.81 | MAPT (0.38) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL9052207 | 0.79 | KMT2A (0.53) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL9052566 | 0.78 | KMT2A (0.52) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL9052994 | 0.76 | MAPT (0.60) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL9052094 | 0.76 | HSD17B10 (0.44) | ALDH1A1MAPTKMT2AKDM4EPKM | |
| SCHEMBL8008219 | 0.75 | RAB9A (0.56) | ALDH1A1MEN1KMT2ANOS3NOS1 | |
| Hydrochloric Acid SCHEMBL9051459 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2AKDM4EPKM |
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-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |