Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ACKR3 | P25106 | 8/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038365 | 0.89 | CYP2D6 (0.49) | ALDH1A1KMT2AACKR3CYP2D6CYP2C9 | |
| SCHEMBL12563565 | 0.81 | CYP2D6 (0.69) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL6864518 | 0.81 | ACHE (0.57) | ALDH1A1ACKR3CHRM3MAPT | |
| SCHEMBL10145077 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL31721209 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL1373046 | 0.80 | CYP2D6 (0.67) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL20209837 | 0.80 | CYP2D6 (0.62) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL13149597 | 0.78 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL6864390 | 0.78 | CXCR4 (0.47) | ALDH1A1SMN1; SMN2ACKR3VCP | |
| SCHEMBL7109288 | 0.78 | POLB (0.63) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998020349-A1 | COMPLEX CHEMICAL LIBRARIES | ISIS PHARMACEUTICALS, INC. (US) | 1998-05-14 | — | — | WO | disclosed |