Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21226532 | 0.84 | SLC22A12 (0.37) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL16623287 | 0.76 | SLC22A12 (0.40) | ALDH1A1HPGDKDM4ELMNAHSD17B10 | |
| SCHEMBL16623261 | 0.74 | SLC22A12 (0.40) | ALDH1A1HPGDKDM4ELMNAHSD17B10 | |
| SCHEMBL22336290 | 0.69 | SLC22A12 (0.36) | SLC22A12 | |
| SCHEMBL26244653 | 0.68 | HSP90AA1 (0.33) | MEN1TSHRKMT2A | |
| SCHEMBL26244657 | 0.68 | MAOB (0.34) | KDM4ETP53SMN1; SMN2MEN1TSHR | |
| SCHEMBL22336151 | 0.68 | CCR4 (0.38) | KDM4ELMNASLC22A12MEN1TSHR | |
| SCHEMBL16623281 | 0.67 | CYP2A6 (0.51) | ALDH1A1HPGDKDM4ESMN1; SMN2GPR55 | |
| SCHEMBL21224539 | 0.66 | SLC22A12 (0.40) | KDM4ESLC22A12 | |
| SCHEMBL5608400 | 0.62 | MTNR1A (0.46) | ALDH1A1CYP3A4MEN1TSHRKMT2A |
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 |