Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6287411 | 0.85 | MEN1 (0.42) | KMT2AMEN1ALDH1A1RORCCYP3A4 | |
| SCHEMBL6284400 | 0.75 | KDM4E (0.45) | ALDH1A1HSD17B10RORCTSHRKDM4E | |
| SCHEMBL6280465 | 0.75 | ALDH1A1 (0.43) | KMT2AMEN1ALDH1A1HSD17B10POLB | |
| SCHEMBL18719826 | 0.71 | SIGMAR1 (0.59) | KMT2AMEN1CRHBPCRHR2RORC | |
| SCHEMBL6280031 | 0.71 | DDB1 (0.54) | KMT2AMEN1ALDH1A1HSD17B10RAB9A | |
| Iodide SCHEMBL27305201 | 0.70 | HDAC8 (0.60) | RORCSIGMAR1 | |
| SCHEMBL6289026 | 0.69 | ACHE (0.42) | ALDH1A1POLBKDM4EMAPT | |
| SCHEMBL6289025 | 0.69 | ACHE (0.42) | ALDH1A1POLBKDM4EMAPT | |
| SCHEMBL6286303 | 0.69 | CALCRL (0.38) | KMT2AMEN1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6166562 | 0.68 | CHRM3 (0.55) | KMT2AMEN1ALDH1A1SIGMAR1CYP3A4 |
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-6927294-B1 | Nitrogen-containing heterocycles | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2005-08-09 | — | — | US | disclosed |