Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20569868 | 1.00 | NPC1 (0.51) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL19538915 | 0.85 | MTNR1B (0.57) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL3459394 | 0.82 | NPC1 (0.53) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL26656872 | 0.81 | KCNB1 (0.48) | MAPTPOLBKCNB1 | |
| SCHEMBL20570033 | 0.81 | NPC1 (0.50) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL20570035 | 0.81 | NPC1 (0.50) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL27761230 | 0.80 | LMNA (0.59) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL20569027 | 0.80 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL20569029 | 0.80 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1TSHRGAA | |
| SCHEMBL20568950 | 0.79 | ALDH1A1 (0.49) | NPC1RAB9AALDH1A1TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018216823-A1 | ALPHA-AMINO AMIDE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2018-11-29 | — | — | WO | disclosed |