Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL109764 | 0.98 | NPSR1 (0.52) | NPSR1NPC1APAF1KMT2ATSHR | |
| Acetic Acid SCHEMBL27430363 | 0.95 | NPSR1 (0.50) | NPSR1NPC1APAF1KMT2ATSHR | |
| SCHEMBL17710350 | 0.81 | MAPT (0.55) | NPC1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL10348556 | 0.78 | NPSR1 (0.64) | NPSR1NPC1APAF1KMT2ATSHR | |
| SCHEMBL741752 | 0.78 | NPSR1 (0.64) | NPSR1NPC1APAF1KMT2ATSHR | |
| SCHEMBL4103979 | 0.78 | NPSR1 (0.56) | NPSR1NPC1KMT2ATSHRMEN1 | |
| SCHEMBL9328858 | 0.77 | CYP3A4 (0.46) | NPC1APAF1KMT2ATSHRMEN1 | |
| SCHEMBL7036611 | 0.77 | ALDH1A1 (0.46) | NPSR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL5663915 | 0.77 | ESR1 (0.41) | NPC1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL712279 | 0.76 | NPSR1 (0.54) | NPSR1NPC1APAF1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4912183-A | Free radical catalyst; calixarene derivative | LOCTITE (IRELAND) LTD. (IE) | 1990-03-27 | — | — | US | disclosed |