Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4257450 | 0.86 | ALDH1A1 (0.45) | RAB9AL3MBTL1MAPTALDH1A1BRD4 | |
| SCHEMBL29250112 | 0.86 | NPC1 (0.43) | RAB9ANPC1MAPTALDH1A1BRPF1 | |
| SCHEMBL6636701 | 0.85 | TACR1 (0.55) | RAB9AL3MBTL1MAPTALDH1A1BRD4 | |
| SCHEMBL13686266 | 0.81 | SMO (0.46) | RAB9AL3MBTL1MAPTALDH1A1BRD4 | |
| SCHEMBL13686257 | 0.79 | L3MBTL1 (0.39) | RAB9ANPC1L3MBTL1MAPTALDH1A1 | |
| SCHEMBL17231780 | 0.78 | HTR3A (0.50) | RAB9AL3MBTL1ALDH1A1HTR3AHRH4 | |
| SCHEMBL27884859 | 0.77 | TACR1 (0.41) | RAB9AL3MBTL1MAPTALDH1A1BRD4 | |
| SCHEMBL2824448 | 0.76 | MAPT (0.73) | RAB9AL3MBTL1MAPTALDH1A1BRD4 | |
| SCHEMBL10172955 | 0.74 | NPC1 (0.53) | RAB9ANPC1L3MBTL1MAPTALDH1A1 | |
| SCHEMBL15018247 | 0.73 | NPC1 (0.52) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 |
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-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |