Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15948911 | 0.89 | ALDH1A1 (0.56) | ALDH1A1PKMNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL14705866 | 0.75 | ALDH1A1 (0.47) | ALDH1A1PKMKDM4ELCKHTT | |
| SCHEMBL31311187 | 0.74 | LCK (0.48) | ALDH1A1PKMNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL4761846 | 0.74 | PTGS2 (0.54) | ALDH1A1PKMNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL3173695 | 0.74 | NPSR1 (0.55) | ALDH1A1PKMNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL31452240 | 0.74 | BRAF (0.48) | ALDH1A1PKMLCK | |
| SCHEMBL25319444 | 0.73 | ABL1 (0.55) | ALDH1A1PKMLCKCA1CA2 | |
| SCHEMBL1449522 | 0.73 | MEN1 (0.73) | ALDH1A1NPSR1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL31311213 | 0.72 | LCK (0.45) | ALDH1A1PKMLCKCA1CA2 | |
| SCHEMBL1256685 | 0.72 | ALOX5 (0.56) | ALDH1A1NPSR1SMN1; SMN2NPC1KMT2A |
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-2739143-B1 | PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS | FLYNN GARY A (US) | 2018-07-11 | — | — | EP | disclosed |