Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.76 |
| ▸ | CTSL | P07711 | 12/20 | 0.71 |
| ▸ | CTSS | P25774 | 2/20 | 0.71 |
| ▸ | CTSC | P53634 | 2/20 | 0.71 |
| ▸ | CTSZ | Q9UBR2 | 2/20 | 0.71 |
| ▸ | KLK4 | Q9Y5K2 | 2/20 | 0.71 |
| ▸ | CTSB | P07858 | 2/20 | 0.71 |
| ▸ | CTSV | O60911 | 1/20 | 0.71 |
| ▸ | CTSH | P09668 | 1/20 | 0.71 |
| ▸ | CTSK | P43235 | 1/20 | 0.71 |
| ▸ | CASP4 | P49662 | 1/20 | 0.71 |
| ▸ | MMP14 | P50281 | 1/20 | 0.71 |
| ▸ | BACE1 | P56817 | 1/20 | 0.71 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.71 |
| ▸ | ELANE | P08246 | 1/20 | 0.55 |
| ▸ | CMA1 | P23946 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 2/20 | 0.54 |
| ▸ | PRKCA | P17252 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4838855 | 0.88 | NPC1 (0.77) | NPC1CTSLCTSSCTSCCTSZ | |
| SCHEMBL3346901 | 0.87 | NPC1 (1.00) | NPC1CTSLCTSSCTSCCTSZ | |
| SCHEMBL3379300 | 0.81 | YTHDC1 (0.60) | NPC1CDK1PRKCASRC | |
| SCHEMBL9481184 | 0.80 | SRC (0.54) | NPC1CDK1PRKCASRC | |
| SCHEMBL5840706 | 0.75 | CDK1 (0.69) | NPC1CTSLCTSSCTSCCTSZ | |
| SCHEMBL31061476 | 0.73 | CTSL (1.00) | CTSLCTSB | |
| SCHEMBL17628619 | 0.72 | YTHDC1 (0.57) | NPC1CDK1 | |
| SCHEMBL183315 | 0.71 | SRC (0.61) | NPC1CDK1PRKCASRC | |
| SCHEMBL5840449 | 0.71 | CDK1 (1.00) | NPC1CDK1PRKCA | |
| SCHEMBL3346407 | 0.71 | CTSL (1.00) | NPC1CTSLCTSSCTSCCTSZ |
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-2010059418-A1 | SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS | THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) | 2010-05-27 | — | — | WO | disclosed |