Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.58 |
| ▸ | ME2 | P23368 | 1/20 | 0.58 |
| ▸ | ME1 | P48163 | 1/20 | 0.58 |
| ▸ | ME3 | Q16798 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL15558678 | 0.98 | NPSR1 (0.65) | NPSR1HTTRECQLALDH1A1NPC1 | |
| SCHEMBL5660490 | 0.88 | ALDH1A1 (0.73) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6893687 | 0.87 | ALDH1A1 (0.79) | NPSR1ALDH1A1NPC1LMNASMN1; SMN2 | |
| SCHEMBL3224693 | 0.87 | NPC1 (0.63) | NPSR1HTTRECQLALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL3211216 | 0.85 | NPC1 (0.62) | NPSR1HTTRECQLALDH1A1NPC1 | |
| SCHEMBL3454062 | 0.85 | ALDH1A1 (0.73) | HTTALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL2019709 | 0.85 | HTT (0.64) | NPSR1HTTRECQLALDH1A1NPC1 | |
| SCHEMBL2558691 | 0.84 | NPSR1 (0.62) | NPSR1HTTRECQLALDH1A1NPC1 | |
| SCHEMBL16900138 | 0.84 | POLB (0.63) | HTTALDH1A1NPC1LMNASMN1; SMN2 | |
| SCHEMBL11147683 | 0.83 | ALDH1A1 (0.90) | HTTALDH1A1NPC1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9078909-B2 | Tertiary amines, medicaments containing said amines, use thereof and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-9078909-B2 | Tertiary amines, medicaments containing said amines, use thereof and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-14 | — | — | US | disclosed |