Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.66 |
| ▸ | RAB9A | P51151 | 9/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | GRM5 | P41594 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL161227 | 0.94 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL8396558 | 0.93 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL307051 | 0.93 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23594174 | 0.93 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5168314 | 0.93 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL24673320 | 0.93 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6928283 | 0.91 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3747209 | 0.91 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2316588 | 0.91 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL124395 | 0.87 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |