Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL903641 | 0.82 | CNR2 (0.38) | — | |
| SCHEMBL1985565 | 0.74 | MAPT (0.43) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL19978096 | 0.73 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL903658 | 0.70 | MAPKAPK2 (0.49) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL11047658 | 0.68 | ALDH1A1 (0.81) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13514904 | 0.66 | HTT (0.41) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL1990533 | 0.66 | MAPT (0.52) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL15497467 | 0.65 | MAPT (0.34) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL18215374 | 0.65 | GPR55 (0.57) | GPR55 | |
| SCHEMBL12601843 | 0.64 | KDM4E (0.47) | ALDH1A1MAPTKDM4EHPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012040924-A1 | FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |