Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.63 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | G6PD | P11413 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8947092 | 0.85 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1TSHRKMT2A | |
| SCHEMBL19075716 | 0.84 | HTT (0.57) | NPC1RAB9APRMT5WDR77ALDH1A1 | |
| SCHEMBL8947257 | 0.84 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KMT2ALMNAMEN1 | |
| SCHEMBL14564240 | 0.84 | MAPT (0.49) | NPC1RAB9APRMT5WDR77ALDH1A1 | |
| SCHEMBL9361569 | 0.82 | NPC1 (0.69) | NPC1RAB9APRMT5WDR77ALDH1A1 | |
| SCHEMBL4099919 | 0.82 | ALDH1A1 (0.69) | NPC1RAB9APRMT5WDR77ALDH1A1 | |
| SCHEMBL8947287 | 0.82 | KMT2A (0.76) | NPC1RAB9AALDH1A1CYP3A4TSHR | |
| SCHEMBL7566531 | 0.79 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL30445111 | 0.79 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL11684395 | 0.78 | ALDH1A1 (0.64) | NPC1RAB9APRMT5WDR77ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085429-B | Aromatic heterocyclic derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2019-12-10 | — | — | CN | disclosed |
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |
| WO-2015161830-A1 | HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-10-29 | — | — | WO | disclosed |