Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | BRD4 | O60885 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8299739 | 0.85 | CHRM5 (0.52) | ALDH1A1KDM4ESMN1; SMN2BRD4L3MBTL1 | |
| SCHEMBL8097066 | 0.84 | SLC6A1 (0.57) | ALDH1A1L3MBTL1 | |
| SCHEMBL8693251 | 0.79 | ALDH1A1 (0.69) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| SCHEMBL8910535 | 0.79 | ALDH1A1 (0.69) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| SCHEMBL6995476 | 0.77 | L3MBTL1 (0.67) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPK1 | |
| SCHEMBL8909936 | 0.77 | ALDH1A1 (0.66) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| Oxalic Acid SCHEMBL8694605 | 0.77 | ALDH1A1 (0.66) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| SCHEMBL8909943 | 0.77 | ALDH1A1 (0.66) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| SCHEMBL491545 | 0.76 | SIGMAR1 (0.67) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM | |
| SCHEMBL9397034 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4ESMN1; SMN2BRD4L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |