Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 4/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2532056 | 0.81 | CTSS (0.48) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL28269300 | 0.80 | KYNU (0.38) | CTSSCTSLCTSBALDH1A1TSHR | |
| SCHEMBL21638375 | 0.77 | CTSL (0.35) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL2208865 | 0.76 | OPRD1 (0.47) | CTSSCTSLCTSBSMN1; SMN2CYP2C19 | |
| SCHEMBL2394738 | 0.76 | CTSS (0.55) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL28641817 | 0.76 | CTSB (0.42) | CTSSCTSLCTSBCTSKALDH1A1 | |
| Hydrochloric Acid SCHEMBL29158022 | 0.75 | CTSS (0.54) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL7432792 | 0.74 | CTSS (0.62) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL2796110 | 0.74 | CTSS (0.47) | CTSSCTSLCTSBCTSKSMN1; SMN2 | |
| SCHEMBL2908157 | 0.73 | CTSS (0.50) | CTSSCTSLCTSBCTSKALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1802637-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |