Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.61 |
| ▸ | NPC1 | O15118 | 10/20 | 0.61 |
| ▸ | RAB9A | P51151 | 10/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.61 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 11/20 | 0.60 |
| ▸ | TP53 | P04637 | 6/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11965101 | 0.88 | CYP1A2 (0.79) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5729598 | 0.86 | CYP1A2 (0.75) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5729390 | 0.83 | CYP1A2 (0.70) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11903011 | 0.83 | SMN1; SMN2 (0.72) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5729080 | 0.82 | CYP1A2 (0.68) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1814073 | 0.78 | S1PR1 (0.71) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4548382 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27887260 | 0.76 | S1PR1 (0.68) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17108416 | 0.76 | MPO (0.59) | CYP1A2CYP2D6SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL31649581 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2D6SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009128964-A2 | ENSEMBLE-BASED VIRTUAL SCREENING REVEALS NOVEL ANTIVIRAL COMPOUNDS FOR AVIAN INFLUENZA NEURAMINIDASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-10-22 | — | — | WO | disclosed |