Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091673 | 0.80 | ALDH1A1 (0.52) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2099516 | 0.78 | APP (0.48) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2090725 | 0.78 | MAPT (0.40) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2096896 | 0.78 | APP (0.48) | CYP2A6CYP2A13MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL203434 | 0.78 | CYP2A6 (0.38) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2096460 | 0.78 | ALDH1A1 (0.45) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL1031223 | 0.78 | APP (0.48) | CYP2A6CYP2A13ALDH1A1HSD17B10ALOX15 | |
| SCHEMBL9512083 | 0.78 | ALDH1A1 (0.54) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 | |
| SCHEMBL11098248 | 0.78 | CYP2A6 (0.67) | CYP2A6CYP2A13ALDH1A1HSD17B10ALDH3A1 | |
| SCHEMBL14093915 | 0.78 | CYP2A6 (0.38) | CYP2A6CYP2A13ALDH1A1TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2357175-A1 | isoquinoline derivatives AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN | Fibrogen, Inc. (US) | 2011-08-17 | — | — | EP | disclosed |
| EP-1644336-B1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN | FIBROGEN INC (US) | 2011-01-19 | — | — | EP | disclosed |