Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27955257 | 0.84 | MTNR1A (0.55) | ALDH1A1MTNR1AMTNR1BCYP1A2HTT | |
| Quinoline SCHEMBL15522211 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL2535469 | 0.74 | ALDH1A1 (0.81) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL27960167 | 0.72 | ALDH1A1 (0.77) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL4599170 | 0.72 | ALDH1A1 (0.77) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL3925804 | 0.72 | ALDH1A1 (0.85) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL137291 | 0.72 | ALDH1A1 (0.94) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL28111096 | 0.72 | ALDH1A1 (0.94) | ALDH1A1CYP1A2HTTCYP2D6MAPT | |
| Quinoline SCHEMBL19433739 | 0.71 | ALDH1A1 (0.68) | ALDH1A1CYP1A2HTTMAPTCYP2C19 | |
| Quinoline SCHEMBL6399465 | 0.70 | ALDH1A1 (0.74) | ALDH1A1CYP1A2HTTCYP2D6MAPT |
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-103732589-B | Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |