Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.47 |
| ▸ | RAB9A | P51151 | 10/20 | 0.47 |
| ▸ | AR | P10275 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL2681535 | 0.78 | PDGFRB (0.56) | NPC1RAB9AARCYP3A4CYP1A2 | |
| SCHEMBL29419045 | 0.78 | PDGFRB (0.56) | NPC1RAB9AARCYP3A4CYP1A2 | |
| SCHEMBL10078861 | 0.77 | NPC1 (0.63) | NPC1RAB9AARCYP3A4CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL483984 | 0.76 | TTR (0.45) | NPC1RAB9ACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL27785002 | 0.73 | CYP11B1 (0.47) | ARCYP3A4CYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL20127212 | 0.73 | NPC1 (0.53) | NPC1RAB9AARCYP3A4CYP1A2 | |
| SCHEMBL31038189 | 0.73 | NPC1 (0.55) | NPC1RAB9AARCYP3A4CYP1A2 | |
| SCHEMBL10079213 | 0.73 | NPC1 (0.59) | NPC1RAB9AARCYP3A4CYP1A2 | |
| SCHEMBL29638020 | 0.73 | NPC1 (0.59) | NPC1RAB9AARCYP3A4CYP1A2 | |
| 2-Phenylquinoline SCHEMBL28042322 | 0.73 | RAB9A (0.61) | NPC1RAB9AARCYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102985411-A | Imaging agents for detecting neurological disorders | SIEMENS MEDICAL SOLUTIONS | 2013-03-20 | — | — | CN | disclosed |