Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28886071 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4EHTTTP53CYP19A1 | |
| SCHEMBL18030205 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HTTTP53CHRNB2CHRNA4 | |
| SCHEMBL28462224 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EHTTTP53CHRNB2 | |
| SCHEMBL24900387 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHTTTP53CHRNB2 | |
| SCHEMBL30221438 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHTTTP53CHRNB2 | |
| SCHEMBL21590213 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4EHTTTP53CHRNB2 | |
| SCHEMBL27946973 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4EHTTTP53SMN1; SMN2 | |
| SCHEMBL24900389 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EHTTTP53CHRNB2 | |
| SCHEMBL3057834 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTTTP53CHRNB2CHRNA4 | |
| SCHEMBL30221272 | 0.79 | PIK3CD (0.47) | ALDH1A1CHRNB2CHRNA4PIK3CDPIK3R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008140419-A2 | PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES | S*BIO PTE LTD (SG) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008140419-A2 | PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES | S*BIO PTE LTD (SG) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008060248-A1 | INDOLE SUSTITUTED PYRIMIDINES AND USE THEREOF IN THE TREATMENT OF CANCER | S*BIO PTE LTD. (SG) | 2008-05-22 | — | — | WO | disclosed |