Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 8/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 8/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.37 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10631655 | 0.96 | ALDH1A1 (0.43) | ALDH1A1CES1CES2KDM5AKDM4C | |
| SCHEMBL20263732 | 0.89 | SOAT1 (0.41) | ALDH1A1CES1CES2KDM5AKDM4C | |
| SCHEMBL8823580 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CES1CES2KDM5AKDM4C | |
| SCHEMBL8066253 | 0.79 | CA12 (0.39) | ALDH1A1CES1CES2CA1CA12 | |
| SCHEMBL10953437 | 0.79 | CA12 (0.39) | ALDH1A1CES1KDM5AKDM4CCA1 | |
| SCHEMBL10628101 | 0.77 | LMNA (0.50) | ALDH1A1CES1KDM5AKDM4CLMNA | |
| SCHEMBL10634526 | 0.77 | LMNA (0.44) | ALDH1A1CES1CES2KDM5AKDM4C | |
| SCHEMBL8253430 | 0.73 | ZDHHC20 (0.42) | ALDH1A1 | |
| SCHEMBL10647713 | 0.73 | ZDHHC20 (0.41) | CES1CES2CA1CA12CA9 | |
| SCHEMBL7753544 | 0.72 | ZDHHC20 (0.40) | CES1CES2TP53CA1CA12 |
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-1997003040-A1 | METHOD FOR CONVERTING POLYAMIDES INTO NITROGEN-CONTAINING COMPOUNDS | RHONE-POULENC FIBRES & POLYMERES S.A. (FR) | 1997-01-30 | — | — | WO | disclosed |