Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31618323 | 0.98 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL11593239 | 0.92 | SIGMAR1 (0.50) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL11600680 | 0.84 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1KDM4ESIGMAR1MEN1 | |
| SCHEMBL11600677 | 0.84 | ALDH1A1 (0.42) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL25623837 | 0.84 | TSHR (0.46) | CYP1A2SMN1; SMN2ALDH1A1KDM4EBLM | |
| SCHEMBL12551090 | 0.83 | ALDH1A1 (0.41) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL16924669 | 0.82 | SIGMAR1 (0.43) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL27911992 | 0.81 | ALDH1A1 (0.47) | CYP1A2SMN1; SMN2ALDH1A1KDM4EBLM | |
| SCHEMBL7098682 | 0.81 | CYP1A2 (0.48) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E | |
| SCHEMBL23871039 | 0.80 | KMT2A (0.46) | CYP1A2SMN1; SMN2MAPK1ALDH1A1KDM4E |
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-4094976-A | ANTICOCCIDIAL CYCLICAMINO ETHANOLS AND ESTERS THEREOF | MERCK & CO., INC. (US) | 1978-06-13 | — | — | US | disclosed |