Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27888360 | 0.89 | CYP19A1 (0.40) | ALDH1A1SMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL28803543 | 0.86 | SMN1; SMN2 (0.34) | ALDH1A1SMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL27905174 | 0.84 | EPHX2 (0.41) | ALDH1A1SMN1; SMN2GAAACHELMNA | |
| SCHEMBL15509759 | 0.83 | PARP1 (0.38) | ACHEOPRM1BCHE | |
| SCHEMBL15509513 | 0.83 | ACHE (0.38) | ALDH1A1ACHEKMT2ABCHE | |
| SCHEMBL28803522 | 0.83 | AKR1C3 (0.37) | ALDH1A1SMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL2532170 | 0.82 | F11 (0.38) | ALDH1A1KDM4EGAAMAPTKMT2A | |
| SCHEMBL2533669 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL2529573 | 0.80 | CA1 (0.39) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL27905200 | 0.80 | RAB9A (0.42) | SLC6A3ATMKMT2A |
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 |