Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | LTK | P29376 | 1/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | PRKX | P51817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102864 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTPKMNPC1 | |
| SCHEMBL8886770 | 0.82 | GABRA3 (0.43) | ACHE | |
| SCHEMBL8103377 | 0.80 | KDM4E (0.45) | ALDH1A1KDM4EMAPTPKMNPC1 | |
| SCHEMBL8097140 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTPKMNPC1 | |
| SCHEMBL8088074 | 0.77 | KDM4E (0.40) | ALDH1A1KDM4EMAPTPKMNPC1 | |
| SCHEMBL8094932 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTPKMNPC1 | |
| SCHEMBL8094714 | 0.70 | GABRA2 (0.64) | CLK4 | |
| SCHEMBL8097295 | 0.68 | GABRA3 (0.44) | — | |
| SCHEMBL21963403 | 0.67 | ACHE (0.53) | ALDH1A1KDM4ESMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL30162274 | 0.67 | ACHE (0.53) | ALDH1A1KDM4ESMN1; SMN2ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6013799-A | HIGHLY SELECTIVE AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR G-AMINOBUTYRIC ACID (GABA) BRAIN RECEPTORS; USEFUL IN DIAGNOSIS/TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS, DRUG OVERDOSE, AND ALERTNESS ENHANCEMENT ALERTNESS | NEUROGEN CORPORATION (US) | 2000-01-11 | — | — | US | disclosed |