Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5125073 | 0.77 | L3MBTL1 (0.45) | ALDH1A1MAPTLMNAKMT2AL3MBTL1 | |
| SCHEMBL6648977 | 0.72 | CYP2A6 (0.43) | ALDH1A1MAPTLMNAKMT2AKDM4E | |
| SCHEMBL6644722 | 0.71 | ERCC1 (0.57) | ALDH1A1MAPTKMT2AKDM4ERAB9A | |
| SCHEMBL9777499 | 0.65 | CYP2A6 (0.56) | ALDH1A1MAPTLMNAKMT2AKDM4E | |
| SCHEMBL30142861 | 0.65 | BCAT2 (0.45) | ALDH1A1MAPTLMNAKMT2AKDM4E | |
| SCHEMBL2118284 | 0.65 | ATM (0.55) | ALDH1A1MAPTLMNAKMT2AKDM4E | |
| SCHEMBL6068076 | 0.64 | CYP2A6 (0.49) | ALDH1A1MAPTLMNAKMT2ACYP2A6 | |
| SCHEMBL6643744 | 0.64 | IKBKB (0.51) | KMT2AKDM4EMEN1GAAJAK2 | |
| SCHEMBL6649260 | 0.62 | CYP2A6 (0.41) | ALDH1A1MAPTLMNAKMT2AKDM4E | |
| SCHEMBL6649184 | 0.62 | ADORA2A (0.41) | RAB9AHSP90AA1ERCC1FEN1ERCC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441734-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035076-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |