Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8700034 | 1.00 | ALDH1A1 (0.54) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL13267397 | 0.91 | ALDH1A1 (0.56) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL2251796 | 0.84 | ALDH1A1 (0.49) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL19630466 | 0.82 | ALDH1A1 (0.46) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL14261789 | 0.79 | GPR119 (0.48) | ALDH1A1PTPN1MAPTKMT2A | |
| SCHEMBL71401 | 0.77 | PTPN1 (0.73) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL5379059 | 0.77 | PTPN1 (0.73) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL2627847 | 0.77 | PTPN1 (0.73) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL71402 | 0.77 | PTPN1 (0.73) | ALDH1A1PTPN1MAPTNPC1LMNA | |
| SCHEMBL31301140 | 0.77 | PTPN1 (0.73) | ALDH1A1PTPN1MAPTNPC1LMNA |
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-1998000426-A1 | 5,6,7,8-TETRAHYDROPYRIMIDO[4,5-b]AZEPINE DERIVATIVES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-01-08 | — | — | WO | disclosed |