Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15267169 | 0.83 | ACHE (0.35) | — | |
| SCHEMBL5952322 | 0.75 | MAOA (0.44) | ALDH1A1ESR2ALOX5 | |
| SCHEMBL5952220 | 0.75 | TSHR (0.50) | ALDH1A1TSHRTP53 | |
| SCHEMBL9462073 | 0.74 | ACHE (0.55) | ALDH1A1TSHRHTR3EHTR3BHTR3A | |
| Chloromethane SCHEMBL27517684 | 0.74 | TSHR (0.55) | ALDH1A1TSHRPNMTCHRM5TAAR1 | |
| SCHEMBL28140 | 0.73 | — | — | |
| SCHEMBL28129975 | 0.73 | TSHR (0.61) | ALDH1A1TSHRPNMTHTR3EHTR3B | |
| SCHEMBL3051672 | 0.72 | CYP3A4 (0.52) | ALDH1A1TSHRTP53TDP1 | |
| SCHEMBL2028870 | 0.72 | — | — | |
| SCHEMBL4036086 | 0.72 | ACHE (0.48) | CHRM5TAAR1PARP1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2034998-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008079427-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-03 | — | — | WO | disclosed |