Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 4/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21225965 | 0.85 | CCR4 (0.38) | CCR4SLC22A12HRH4DRD2DRD3 | |
| SCHEMBL16623287 | 0.78 | SLC22A12 (0.40) | SLC22A12KDM4EELANELMNA | |
| SCHEMBL16623261 | 0.77 | SLC22A12 (0.40) | SLC22A12TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL21230519 | 0.74 | JAK2 (0.37) | SLC22A12KDM4EKMT2A | |
| SCHEMBL21224437 | 0.72 | PRKDC (0.41) | SLC22A12TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL22336290 | 0.72 | SLC22A12 (0.36) | SLC22A12 | |
| SCHEMBL21224535 | 0.71 | SLC22A12 (0.36) | SLC22A12KDM4E | |
| SCHEMBL22336249 | 0.68 | ALDH1A1 (0.36) | SLC22A12TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL16623281 | 0.67 | CYP2A6 (0.51) | KDM4E | |
| SCHEMBL26244659 | 0.67 | KDM4E (0.39) | DRD2DRD3HTR1ADRD4HTR2A |
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-2019152955-A9 | SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE | EVERETT STEVEN ALBERT (US) | 2020-08-13 | — | — | WO | disclosed |