Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 11/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.36 |
| ▸ | GABRE | P78334 | 2/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158110 | 0.80 | MDM2 (0.46) | ANO1MDM2NPC1RAB9ACES2 | |
| SCHEMBL10705376 | 0.76 | HTT (0.46) | NPC1RAB9ACES2CES1SMN1; SMN2 | |
| SCHEMBL20157673 | 0.73 | RXRA (0.35) | RXRASMN1; SMN2MAOB | |
| SCHEMBL10704841 | 0.72 | FLT1 (0.47) | NPC1RAB9AGABRA1GABRB1GABRG2 | |
| SCHEMBL31619553 | 0.72 | ALDH1A1 (0.46) | NPC1RAB9ACES2CES1SMN1; SMN2 | |
| SCHEMBL15974805 | 0.71 | F2R (0.38) | ANO1CES2CES1TDP1 | |
| SCHEMBL31619554 | 0.69 | NPC1 (0.42) | NPC1RAB9ACES2CES1RXRA | |
| SCHEMBL20560231 | 0.69 | CES2 (0.39) | ANO1NPC1CES2CES1SMN1; SMN2 | |
| SCHEMBL1796583 | 0.69 | MAPT (0.55) | CES2CES1MAOB | |
| SCHEMBL9422059 | 0.68 | TP53 (0.47) | ANO1NPC1RAB9AGABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |