Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.43 |
| ▸ | SNCA | P37840 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28001204 | 0.86 | KMT2A (0.56) | HTR6CYP1A2CYP2C19KMT2AALDH1A1 | |
| SCHEMBL4943583 | 0.85 | HTR6 (0.58) | HTR6BRD4APPSNCABACE1 | |
| Quinoline SCHEMBL28080464 | 0.85 | HTR6 (0.52) | HTR6BRD4APPSNCAKMT2A | |
| Quinoline SCHEMBL27994088 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP2C19HTTBRD4KMT2A | |
| SCHEMBL3861264 | 0.74 | APP (0.53) | HTR6APPSNCAERBB2HTR2A | |
| SCHEMBL6191087 | 0.73 | FGFR1 (0.52) | HTR6KMT2AFGFR1FGFR4HDAC1 | |
| SCHEMBL31061608 | 0.72 | CYP11B1 (0.62) | HTR6CYP1A2CYP2C19HTTKMT2A | |
| SCHEMBL4716978 | 0.72 | CYP11B1 (0.62) | HTR6CYP1A2CYP2C19HTTKMT2A | |
| SCHEMBL28271849 | 0.72 | HTR6 (0.52) | HTR6KMT2AERBB2TNFCYP11B1 | |
| SCHEMBL7662963 | 0.72 | FGFR1 (0.54) | HTR6BRD4FGFR1FGFR4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |