Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
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 SCHEMBL5108540 | 0.99 | NPC1 (0.54) | NPC1RAB9AALDH1A1HTTPAX8 | |
| Hydrochloric Acid SCHEMBL4236104 | 0.80 | NPC1 (0.55) | NPC1RAB9AALDH1A1HTTPAX8 | |
| Hydrochloric Acid SCHEMBL4236478 | 0.79 | NPSR1 (0.47) | NPC1RAB9AALDH1A1HTTKMT2A | |
| Hydrochloric Acid SCHEMBL4228085 | 0.77 | PPIB (0.45) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL30982104 | 0.75 | CACNA1B (0.48) | ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL12679649 | 0.75 | NPC1 (0.69) | NPC1RAB9AALDH1A1HTTPAX8 | |
| SCHEMBL8090586 | 0.75 | NPC1 (0.59) | NPC1RAB9AALDH1A1HTTPAX8 | |
| Hydrochloric Acid SCHEMBL4226515 | 0.74 | ALDH1A1 (0.55) | NPC1RAB9AALDH1A1HTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4227544 | 0.73 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1HTTPAX8 | |
| SCHEMBL5144036 | 0.73 | ALDH1A1 (0.71) | NPC1RAB9AALDH1A1HTTPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2096104-A1 | Organic diamines as mGluR7 modulators | Novartis AG (CH) | 2009-09-02 | — | — | EP | disclosed |