Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 4/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24924110 | 0.98 | SMPD1 (0.41) | FDPSSMPD1OPRM1TSHRTHRB | |
| SCHEMBL435432 | 0.82 | FDPS (0.32) | FDPS | |
| SCHEMBL26831160 | 0.82 | LMNA (0.37) | OPRM1 | |
| SCHEMBL28290833 | 0.77 | FDPS (0.36) | FDPSSMPD1OPRM1 | |
| SCHEMBL8071809 | 0.76 | OPRM1 (0.42) | FDPSSMPD1OPRM1TSHRTHRB | |
| SCHEMBL15573847 | 0.76 | OPRM1 (0.42) | FDPSSMPD1OPRM1TSHRTHRB | |
| SCHEMBL11792783 | 0.76 | OPRM1 (0.42) | FDPSSMPD1OPRM1TSHRTHRB | |
| SCHEMBL19253997 | 0.76 | OPRM1 (0.42) | FDPSSMPD1OPRM1TSHRTHRB | |
| SCHEMBL1684218 | 0.76 | — | — | |
| SCHEMBL10717958 | 0.76 | FDPS (0.40) | FDPSSMPD1OPRM1TSHRSPHK1 |
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-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |