Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.75 |
| ▸ | RAB9A | P51151 | 3/20 | 0.75 |
| ▸ | RECQL | P46063 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23221367 | 1.00 | NPC1 (0.75) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL13435257 | 0.92 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL13531827 | 0.92 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL3810527 | 0.90 | NPC1 (0.79) | NPC1RAB9ARECQLALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL29489495 | 0.89 | NPC1 (0.77) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL9187561 | 0.87 | NPC1 (1.00) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL881475 | 0.86 | NPC1 (0.73) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL10113297 | 0.85 | NPC1 (0.77) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL10582387 | 0.84 | ALDH1A1 (0.76) | NPC1RAB9ARECQLALDH1A1LMNA | |
| SCHEMBL17687953 | 0.84 | ALDH1A1 (0.86) | NPC1RAB9ARECQLALDH1A1LMNA |
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-107108527-B | Ataxia telangiectasia and Rad 3-Associated (ATR) protein kinase inhibitors | 阿特林制药有限责任公司 | 2022-08-02 | — | — | CN | disclosed |
| US-9810700-B1 | Fluorogenic calcium ion indicators and methods of using the same | AAT BIOQUEST, INC. (US) | 2017-11-07 | — | — | US | disclosed |
| US-9810700-B1 | Fluorogenic calcium ion indicators and methods of using the same | AAT BIOQUEST, INC. (US) | 2017-11-07 | — | — | US | disclosed |