Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15509929 | 0.95 | ACHE (0.41) | EPHX2KMT2AMEN1ACHEBCHE | |
| SCHEMBL28803643 | 0.86 | RAB9A (0.46) | MAPTGAAHTTPOLBRAB9A | |
| SCHEMBL15509717 | 0.85 | HTT (0.43) | KMT2AMEN1ACHEBCHEMAPT | |
| SCHEMBL15510703 | 0.85 | GAA (0.41) | ACHEBCHEGAAHTTLMNA | |
| SCHEMBL15509757 | 0.85 | KDM4E (0.43) | KMT2AMEN1GAAHTTPKM | |
| SCHEMBL27905167 | 0.84 | ALDH1A1 (0.36) | KMT2AACHEBCHEMAPTGAA | |
| SCHEMBL15510031 | 0.84 | MEN1 (0.42) | EPHX2KMT2AMEN1ACHEBCHE | |
| SCHEMBL2531679 | 0.84 | ALDH1A1 (0.39) | EPHX2KMT2AMEN1MAPTHTT | |
| SCHEMBL15510068 | 0.84 | ACHE (0.39) | EPHX2ACHEBCHE | |
| SCHEMBL2527836 | 0.83 | F10 (0.40) | GAARAB9AALDH1A1TP53SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-102858746-B | Novel 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMANN LA ROCHE | 2014-07-16 | — | — | CN | disclosed |
| CN-102858746-A | Novel 3,3-dimethyl tetrahydroquinoline derivatives | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | disclosed |