Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.64 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.64 |
| ▸ | RELA | Q04206 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5411351 | 0.86 | NPC1 (0.61) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL7679062 | 0.84 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL13325759 | 0.82 | NPC1 (0.73) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL7680792 | 0.82 | HRH3 (0.58) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL7681716 | 0.80 | HRH3 (0.61) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL28851904 | 0.79 | RAB9A (1.00) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL2617338 | 0.79 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL7675257 | 0.79 | HRH3 (0.73) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL5411356 | 0.79 | HRH3 (0.77) | NPC1RAB9AALDH1A1KDM4EPKM | |
| SCHEMBL2103248 | 0.78 | ALDH1A1 (0.79) | NPC1RAB9AALDH1A1KDM4EPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489337-B1 | TREATMENT OF ALZHEIMER'S DISEASE, EPILEPSY, EATING DISORDERS, LEARNING AND MEMORY DISORDERS, MIGRAINE, SLEEP/WAKE DISORDERS, ALLERGIC RHINITIS, SCHIZOPHRENIA, MILD COGNITIVE IMPAIRMENT, AND ASTHMA | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-12-03 | — | — | US | disclosed |
| WO-2001074813-A2 | METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2001-10-11 | — | — | WO | disclosed |