Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12572460 | 0.89 | NPC1 (0.44) | CA12CA9NT5ENPC1RAB9A | |
| SCHEMBL27682904 | 0.80 | EGFR (0.40) | NPC1RAB9AKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL2006727 | 0.79 | CYP19A1 (0.48) | CA12CA9POLBKMT2A | |
| SCHEMBL16712454 | 0.78 | CA12 (0.51) | CA12CA9NPC1RAB9AKDM4E | |
| SCHEMBL5266188 | 0.75 | MAPT (0.38) | NPC1RAB9AHPGDALDH1A1HSD17B10 | |
| SCHEMBL10315082 | 0.73 | MAPK1 (0.62) | CA12CA9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16726598 | 0.70 | HPGD (0.54) | CA12CA9KDM4EHPGDALDH1A1 | |
| SCHEMBL8081936 | 0.69 | SMN1; SMN2 (0.56) | NT5ENPC1RAB9AKDM4EHPGD | |
| SCHEMBL14495384 | 0.69 | KDM4C (0.62) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL10049736 | 0.69 | SMN1; SMN2 (0.52) | NT5ENPC1RAB9AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6407261-B1 | OXIDIZING THE CORRESPONDING KETONE COMPOUND BY HEATING WITH A SUKFINATING COMPOUND | ELI LILLY AND COMPANY | 2002-06-18 | — | — | US | disclosed |