Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | TP53 | P04637 | 4/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.57 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9920519 | 0.96 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL5032444 | 0.95 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL29543568 | 0.95 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL5590400 | 0.93 | ALDH1A1 (0.64) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL5590272 | 0.93 | ALDH1A1 (0.64) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL19743168 | 0.90 | ALDH1A1 (0.66) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL19039937 | 0.89 | CYP2A6 (0.62) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL17944660 | 0.89 | CYP2A6 (0.62) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL2254917 | 0.89 | CYP2A6 (0.62) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E | |
| SCHEMBL23733899 | 0.85 | KDM4E (0.59) | SMN1; SMN2ALDH1A1TP53HSD17B10KDM4E |
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-2012080052-A1 | BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS | BASF SE (DE) | 2012-06-21 | — | — | WO | disclosed |