Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 6/20 | 0.36 |
| ▸ | MMP3 | P08254 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5582600 | 0.83 | NPC1 (0.53) | NPC1RAB9AKMT2AMAPTCES2 | |
| SCHEMBL19996133 | 0.75 | NPC1 (0.53) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL30476642 | 0.75 | NPC1 (0.53) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL7235169 | 0.75 | BAZ2B (0.52) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL5582666 | 0.74 | NPC1 (0.56) | NPC1RAB9AKMT2AMAPTCES2 | |
| SCHEMBL15022432 | 0.73 | MAPT (0.52) | NR1I3CA12CA1CA9MAPT | |
| SCHEMBL30781540 | 0.72 | BAZ2B (0.55) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL20809725 | 0.72 | BAZ2B (0.55) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL1114945 | 0.71 | RAB9A (0.56) | NR1I3CA12CA1CA9NPC1 | |
| SCHEMBL14037479 | 0.71 | NR1I3 (0.47) | NR1I3CA12CA1CA9NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |