Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26490205 | 0.85 | SLC6A3 (0.51) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL26091761 | 0.85 | SLC6A3 (0.51) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL26490187 | 0.75 | SLC6A3 (0.72) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL28691456 | 0.75 | KMT2A (0.41) | KMT2AMAPTKDM4ELMNACYP1A2 | |
| SCHEMBL11346276 | 0.72 | SLC6A3 (0.68) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL30505635 | 0.71 | SLC6A3 (0.71) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL1979275 | 0.71 | SLC6A3 (0.71) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL113040 | 0.71 | SLC6A3 (0.71) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| Acetic Acid SCHEMBL29588064 | 0.71 | KMT2A (0.68) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL11443998 | 0.71 | SLC6A3 (0.60) | SLC6A3KMT2AMAPTSMN1; SMN2HSD17B10 |
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-2021077194-A1 | PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF | ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) | 2021-04-29 | — | — | WO | disclosed |